1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid

C14H23NO3 — CID 119356339

IUPAC1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCC1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(9-3-7-11-5-1-2-6-11)15-10-4-8-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyUMBRUYYSOIBAEV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid

1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119356339) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID119356339
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCC1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(9-3-7-11-5-1-2-6-11)15-10-4-8-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyUMBRUYYSOIBAEV-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
(2R)-1-[3-(oxan-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119370991
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
(2S)-1-[3-[(3S)-oxan-3-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 124702759
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
1-decanoylazepane-2-carboxylic acid
CID 64558604

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid (CID 119356339) is 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCCC1CCCC1.
What is the InChIKey of 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UMBRUYYSOIBAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(9-3-7-11-5-1-2-6-11)15-10-4-8-12(15)14(17)18/h11-12H,1-10H2,(H,17,18).
What are the key properties of 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid?
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).