3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid

C10H17NO3S — CID 123164926

IUPAC3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CCS)NCC1CCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3S/c12-9(3-4-15)11-6-7-1-2-8(5-7)10(13)14/h7-8,15H,1-6H2,(H,11,12)(H,13,14)
InChIKeyKCOSUGMALYHZMN-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.92
Rot. Bonds5

About 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid

3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 123164926) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID123164926
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CCS)NCC1CCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3S/c12-9(3-4-15)11-6-7-1-2-8(5-7)10(13)14/h7-8,15H,1-6H2,(H,11,12)(H,13,14)
InChIKeyKCOSUGMALYHZMN-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic 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

cis-(1S,3R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106426734
3-[2-(Trifluoromethylsulfanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114187415
cis-(1R,3S)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 121653212
rac-(1R,3S)-3-(acetamidomethyl)-3-fluorocyclopentane-1-carboxylic acid
CID 165919902
rac-(1R,3R)-3-(acetamidomethyl)-3-fluorocyclopentane-1-carboxylic acid
CID 165937872
rac-(1R,3S)-3-(acetamidomethyl)cyclopentane-1-carboxylic acid
CID 12041173
3-(Acetamidomethyl)cyclopentane-1-carboxylic acid
CID 18477180
5-(Cyclopentanecarbonylamino)pentanoic acid
CID 20132095
4-Methyl-2-[2-methyl-3-oxo-3-(2-sulfanylethylamino)propyl]hexanoic acid
CID 20745592
2-Mercaptomethyl-3-pyrrolidin-3-yl-propionic acid
CID 22036079
cis-(1R,3S)-3-(acetamidomethyl)cyclopentane-1-carboxylic acid
CID 54459528
3-(Propylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549757

Frequently Asked Questions

What is the IUPAC name of 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 123164926) is 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid is O=C(CCS)NCC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is KCOSUGMALYHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-9(3-4-15)11-6-7-1-2-8(5-7)10(13)14/h7-8,15H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid?
3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-sulfanylpropanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123164926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).