cis-2-hydroxy-1-aminocyclopentane carboxylic acid

ID: ALA3273922

Chembl Id: CHEMBL3273922

PubChem CID: 21594522

Max Phase: Preclinical

Molecular Formula: C6H11NO3

Molecular Weight: 145.16

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  N[C@@]1(C(=O)O)CCC[C@@H]1O

Standard InChI:  InChI=1S/C6H11NO3/c7-6(5(9)10)3-1-2-4(6)8/h4,8H,1-3,7H2,(H,9,10)/t4-,6-/m0/s1

Standard InChI Key:  HGIWJIYAECWSED-NJGYIYPDSA-N

Alternative Forms

Associated Targets(non-human)

Jensen sarcoma (11 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lactiplantibacillus plantarum (102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 145.16Molecular Weight (Monoisotopic): 145.0739AlogP: -0.69#Rotatable Bonds: 1
Polar Surface Area: 83.55Molecular Species: ZWITTERIONHBA: 3HBD: 3
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 4#RO5 Violations (Lipinski):
CX Acidic pKa: 2.16CX Basic pKa: 9.30CX LogP: -2.90CX LogD: -2.91
Aromatic Rings: Heavy Atoms: 10QED Weighted: 0.46Np Likeness Score: 1.69

References

1. Gaitanopoulos DE, Nash J, Dunn DL, Skinner CG..  (1976)  Racemic diastereoisomers of 1-amino-2-hydroxycyclopentanecarboxylic acid.,  19  (2): [PMID:814238] [10.1021/jm00224a031]

Source