3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid

C15H24N2O4 — CID 64670927

IUPAC3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c1-15(2,8-13(19)20)16-14(21)10-7-12(18)17(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZDNKENVFAZHEKS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds5

About 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64670927) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64670927
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c1-15(2,8-13(19)20)16-14(21)10-7-12(18)17(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZDNKENVFAZHEKS-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119203994
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
3-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261581
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97140593
1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid (CID 64670927) is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is ZDNKENVFAZHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,8-13(19)20)16-14(21)10-7-12(18)17(9-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid?
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64670927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).