2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid

C10H17NO3S — CID 154400842

IUPAC2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCS)C1CCCC1
InChIInChI=1S/C10H17NO3S/c12-9(5-6-15)11(7-10(13)14)8-3-1-2-4-8/h8,15H,1-7H2,(H,13,14)
InChIKeyWSCRVECTAANFFC-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.16
Rot. Bonds5

About 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid

2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid (PubChem CID 154400842) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid
PubChem CID154400842
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCS)C1CCCC1
InChIInChI=1S/C10H17NO3S/c12-9(5-6-15)11(7-10(13)14)8-3-1-2-4-8/h8,15H,1-7H2,(H,13,14)
InChIKeyWSCRVECTAANFFC-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]-acetic acid
CID 12923669
[Cyclopentyl-(2-mercapto-propionyl)-amino]-acetic acid
CID 12923670
(S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid
CID 13469595
N-(3-Acetylthio-2-methylpropanoyl)-N-cyclopentylglycine
CID 13599174
2-[cyclopentyl-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]acetic acid
CID 18599765
N-(3-Mercapto-2-methylpropanoyl)-N-cycloheptylglycine
CID 20285441
N-(3-mercapto-2-methylpropanoyl)-N-cyclohexylglycine
CID 20285455
[(1-Ethyl-pyrrolidin-2-ylmethyl)-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid
CID 12801695
[Isopropyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid
CID 44373308
2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]-propionic acid
CID 13599147
2-[Cyclopentyl-(2-mercapto-propionyl)-amino]-propionic acid
CID 13599150
2-[(2-Acetylsulfanyl-propionyl)-cyclopentyl-amino]-2-methyl-propionic acid
CID 13599148

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid (CID 154400842) is 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid is O=C(O)CN(C(=O)CCS)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid?
The InChIKey is WSCRVECTAANFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-9(5-6-15)11(7-10(13)14)8-3-1-2-4-8/h8,15H,1-7H2,(H,13,14).
What are the key properties of 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid?
2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid is sourced from PubChem (CID 154400842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).