5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid

C16H28N2O3 — CID 104686548

IUPAC5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-12(15(19)20)6-4-10-17-16(21)18-11-5-9-14(18)13-7-2-3-8-13/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyWZVLDAQCQFHUHY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds6

About 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid

5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 104686548) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
PubChem CID104686548
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-12(15(19)20)6-4-10-17-16(21)18-11-5-9-14(18)13-7-2-3-8-13/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyWZVLDAQCQFHUHY-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4,4,4-Trifluorobutan-2-ylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 105945206
(2S)-1-(cyclohexylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78967842
2-{1-[(Cyclopentylamino)carbonyl]piperidin-4-yl}propanoic acid
CID 53214092
1-(2-Methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954641
(2S)-1-(2-methylpentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954942
(2S)-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955258
1-(3-Methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54955757
1-[(2-Methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55011795
(2S)-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55011989
(2S)-1-(1-cyclohexylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55069514
(2S)-1-(4-methylpentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55133530
(2R)-1-[(2-ethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150047

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid (CID 104686548) is 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)N1CCCC1C1CCCC1)C(=O)O.
What is the InChIKey of 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is WZVLDAQCQFHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(15(19)20)6-4-10-17-16(21)18-11-5-9-14(18)13-7-2-3-8-13/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid?
5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).