5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid

C12H22N2O3 — CID 104682816

IUPAC5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(11(15)16)5-4-8-13-12(17)14-10-6-2-3-7-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWWAVSTMPOBSBDO-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds6

About 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid

5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 104682816) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
PubChem CID104682816
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9(11(15)16)5-4-8-13-12(17)14-10-6-2-3-7-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWWAVSTMPOBSBDO-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
2-methyl-5-[(6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686679
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclopentyl-3-propylurea
CID 14343339
2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 80541155

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid (CID 104682816) is 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid is CC(CCCNC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is WWAVSTMPOBSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(11(15)16)5-4-8-13-12(17)14-10-6-2-3-7-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid?
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 104682816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).