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

C10H17NO3S — CID 12923670

IUPAC2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid
SMILESCC(S)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H17NO3S/c1-7(15)10(14)11(6-9(12)13)8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H,12,13)
InChIKeyRZHIRPSMSFRFJN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.16
Rot. Bonds4

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

2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid (PubChem CID 12923670) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid
PubChem CID12923670
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid
SMILESCC(S)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H17NO3S/c1-7(15)10(14)11(6-9(12)13)8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H,12,13)
InChIKeyRZHIRPSMSFRFJN-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid (CID 12923670) is 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid is CC(S)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid?
The InChIKey is RZHIRPSMSFRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(15)10(14)11(6-9(12)13)8-4-2-3-5-8/h7-8,15H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid?
2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid has a molecular weight of 231.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-sulfanylpropanoyl)amino]acetic acid is sourced from PubChem (CID 12923670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).