(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid

C10H15NO4 — CID 69083438

IUPAC(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid
SMILESCC(=O)N[C@@H](CC1CCCC1=O)C(=O)O
InChIInChI=1S/C10H15NO4/c1-6(12)11-8(10(14)15)5-7-3-2-4-9(7)13/h7-8H,2-5H2,1H3,(H,11,12)(H,14,15)/t7?,8-/m0/s1
InChIKeyCBXMMUGUXJEQEZ-MQWKRIRWSA-N
MW213.23 g/mol
LogP0.34
Rot. Bonds4

About (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid

(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid (PubChem CID 69083438) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid
PubChem CID69083438
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid
SMILESCC(=O)N[C@@H](CC1CCCC1=O)C(=O)O
InChIInChI=1S/C10H15NO4/c1-6(12)11-8(10(14)15)5-7-3-2-4-9(7)13/h7-8H,2-5H2,1H3,(H,11,12)(H,14,15)/t7?,8-/m0/s1
InChIKeyCBXMMUGUXJEQEZ-MQWKRIRWSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid?
The IUPAC name of (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid (CID 69083438) is (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid.
What is the SMILES notation for (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid?
The canonical SMILES for (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid is CC(=O)N[C@@H](CC1CCCC1=O)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid?
The InChIKey is CBXMMUGUXJEQEZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(12)11-8(10(14)15)5-7-3-2-4-9(7)13/h7-8H,2-5H2,1H3,(H,11,12)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid?
(2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(2-oxocyclopentyl)propanoic acid is sourced from PubChem (CID 69083438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).