2-amino-3-cyclopentyl-3-sulfanylpropanoic acid

C8H15NO2S — CID 23653013

IUPAC2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
SMILESNC(C(=O)O)C(S)C1CCCC1
InChIInChI=1S/C8H15NO2S/c9-6(8(10)11)7(12)5-3-1-2-4-5/h5-7,12H,1-4,9H2,(H,10,11)
InChIKeyGYQGOPPZLHHZHV-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid

2-amino-3-cyclopentyl-3-sulfanylpropanoic acid (PubChem CID 23653013) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
PubChem CID23653013
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
SMILESNC(C(=O)O)C(S)C1CCCC1
InChIInChI=1S/C8H15NO2S/c9-6(8(10)11)7(12)5-3-1-2-4-5/h5-7,12H,1-4,9H2,(H,10,11)
InChIKeyGYQGOPPZLHHZHV-UHFFFAOYSA-N
XLogP0.89
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
2,3-dicyclopentylbutanedioic acid
CID 141323160
3-amino-2-cyclopentylbutanoic acid
CID 131138399
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
CID 157381240
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
deuterio (2S)-2-amino-2-cyclopentyl-2-deuterioacetate
CID 90022075
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
CID 88971948
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid (CID 23653013) is 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid is NC(C(=O)O)C(S)C1CCCC1.
What is the InChIKey of 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid?
The InChIKey is GYQGOPPZLHHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c9-6(8(10)11)7(12)5-3-1-2-4-5/h5-7,12H,1-4,9H2,(H,10,11).
What are the key properties of 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid?
2-amino-3-cyclopentyl-3-sulfanylpropanoic acid has a molecular weight of 189.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopentyl-3-sulfanylpropanoic acid is sourced from PubChem (CID 23653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).