3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid

C15H24N2O4 — CID 81369322

IUPAC3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2,14(20)21)9-16-13(19)10-7-12(18)17(8-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVHCYMESFGCNMLE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds5

About 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 81369322) 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]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID81369322
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2,14(20)21)9-16-13(19)10-7-12(18)17(8-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVHCYMESFGCNMLE-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857444
(3S)-1-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95129510
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167044
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
2,2-dimethyl-3-[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 124570818
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 81369322) is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC(=O)N(C2CCCC2)C1)C(=O)O.
What is the InChIKey of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is VHCYMESFGCNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,14(20)21)9-16-13(19)10-7-12(18)17(8-10)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.00, 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]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 81369322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).