2-(2-cyclopentylethylcarbamoylamino)pentanoic acid

C13H24N2O3 — CID 61205747

IUPAC2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-5-11(12(16)17)15-13(18)14-9-8-10-6-3-4-7-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYYUIGXRHWJNYRO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid

2-(2-cyclopentylethylcarbamoylamino)pentanoic acid (PubChem CID 61205747) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
PubChem CID61205747
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-5-11(12(16)17)15-13(18)14-9-8-10-6-3-4-7-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYYUIGXRHWJNYRO-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982
4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
CID 61205396
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid (CID 61205747) is 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid?
The InChIKey is YYUIGXRHWJNYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-5-11(12(16)17)15-13(18)14-9-8-10-6-3-4-7-10/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid?
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61205747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).