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

C15H22N2O4 — CID 81164306

IUPAC1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H22N2O4/c18-12-8-10(9-17(12)11-4-1-2-5-11)13(19)16-15(14(20)21)6-3-7-15/h10-11H,1-9H2,(H,16,19)(H,20,21)
InChIKeyMFFHFYMAHASODI-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.90
Rot. Bonds4

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

1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164306) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164306
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C15H22N2O4/c18-12-8-10(9-17(12)11-4-1-2-5-11)13(19)16-15(14(20)21)6-3-7-15/h10-11H,1-9H2,(H,16,19)(H,20,21)
InChIKeyMFFHFYMAHASODI-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]thiolane-3-carboxylic acid
CID 125147937
1-cyclopentyl-N-[1-(hydroxymethyl)cyclobutyl]-5-oxopyrrolidine-3-carboxamide
CID 115877939
1-cyclopentyl-N-[1-(hydroxymethyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 115772388
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 43169394
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
1-cyclopentyl-N-cyclopentyloxy-5-oxopyrrolidine-3-carboxamide
CID 83207333
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95578629
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81164306) is 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is MFFHFYMAHASODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-8-10(9-17(12)11-4-1-2-5-11)13(19)16-15(14(20)21)6-3-7-15/h10-11H,1-9H2,(H,16,19)(H,20,21).
What are the key properties of 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).