1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H22N2O3 — CID 106984032

IUPAC1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NC2CC=CC2)C1
InChIInChI=1S/C14H22N2O3/c1-10(2)14(12(17)18)7-8-16(9-14)13(19)15-11-5-3-4-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPHPCASGBBGMDFB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.85
Rot. Bonds3

About 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984032) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984032
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)NC2CC=CC2)C1
InChIInChI=1S/C14H22N2O3/c1-10(2)14(12(17)18)7-8-16(9-14)13(19)15-11-5-3-4-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyPHPCASGBBGMDFB-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydroxycyclohexyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983643
1-[(1-methylpiperidin-4-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983691
1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983725
1-[(2-methyloxolan-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983992
1-(cyclopent-3-en-1-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113475807
1-[3-(methylamino)propylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983750
1-(cyclohexylmethylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983688
1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983979
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
1-[1-(furan-2-yl)ethylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983701

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984032) is 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)NC2CC=CC2)C1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is PHPCASGBBGMDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)14(12(17)18)7-8-16(9-14)13(19)15-11-5-3-4-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).