(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid

C15H22N2O4S — CID 125147937

IUPAC(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)CCSC1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H22N2O4S/c18-12-7-10(8-17(12)11-3-1-2-4-11)13(19)16-15(14(20)21)5-6-22-9-15/h10-11H,1-9H2,(H,16,19)(H,20,21)/t10-,15+/m0/s1
InChIKeyHBSHIGJNGSXQIG-ZUZCIYMTSA-N
MW326.42 g/mol
LogP0.85
Rot. Bonds4

About (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid

(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid (PubChem CID 125147937) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid
PubChem CID125147937
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)CCSC1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H22N2O4S/c18-12-7-10(8-17(12)11-3-1-2-4-11)13(19)16-15(14(20)21)5-6-22-9-15/h10-11H,1-9H2,(H,16,19)(H,20,21)/t10-,15+/m0/s1
InChIKeyHBSHIGJNGSXQIG-ZUZCIYMTSA-N
XLogP0.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid with MolForge

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Related Compounds

1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164306
1-cyclopentyl-N-[1-(hydroxymethyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 115772388
1-cyclopentyl-N-[1-(hydroxymethyl)cyclobutyl]-5-oxopyrrolidine-3-carboxamide
CID 115877939
(3R)-N-[(3S)-3-cyanothiolan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 95175650
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
1-cyclopentyl-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 17081354
(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 9364611
(3R)-1-cyclopentyl-5-oxo-N-[(3R)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 9364609
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid?
The IUPAC name of (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid (CID 125147937) is (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid.
What is the SMILES notation for (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid?
The canonical SMILES for (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid is O=C(N[C@]1(C(=O)O)CCSC1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid?
The InChIKey is HBSHIGJNGSXQIG-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H22N2O4S/c18-12-7-10(8-17(12)11-3-1-2-4-11)13(19)16-15(14(20)21)5-6-22-9-15/h10-11H,1-9H2,(H,16,19)(H,20,21)/t10-,15+/m0/s1.
What are the key properties of (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid?
(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid is sourced from PubChem (CID 125147937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).