Q414157

[object Object]
NameSarcosine
WikidataQ414157
Mol. formulaC3H7NO2
CAS registry number-
Mol. weight89.0933

Representations

Temporary LOTUS idLTS0202877
NameSarcosine
Canonical SMILESCNCC(=O)O
2D SMILESCNCC(=O)O
IUPAC name2-(methylamino)acetic acid
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFSYKKLYZXJSNPZ-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Muridae  Mus  Mus musculus 

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Echinodermata  Astropectinidae  Astropecten  Astropecten irregularis Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Centropomidae  Lates  Lates calcarifer Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Hominidae  Homo  Homo sapiens Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Buxaceae  Sarcococca  Sarcococca saligna Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Juncaceae  Juncus  Juncus roemerianus Wikidata logo

DomainPhylumGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Bacillariophyta  Thalassiosira  Thalassiosira pseudonana Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Metazoa  Chordata  Hominidae  Homo  Homo sapiens Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Ascomycota  Clavicipitaceae  Claviceps  Claviceps purpurea Wikidata logo

Chemical ontology


PathwaySuperclassClass
Amino acids and PeptidesSmall peptidesAminoacids

Molecular Properties

Total atom number13
Heavy atom number6
Bond count5
Number of carbons3
Minimal number of rings0
Maximal number of rings0

Molecular Descriptors

NP-likeness score 2
Alogp-0.55
Alogp20.3
Apol 12.6516
Bpol 9.2704
EccentricConnectivityIndexDescriptor 31
FmfDescriptor 0
Fsp3 0.6667
FragmentComplexityDescriptor 114.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber32
Xlogp -0.794
ZagrebIndex 20
TopoPSA 49.33