2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid

C14H26N2O3 — CID 61205392

IUPAC2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)18)16-14(19)15-8-7-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMZLJICUHSLLJKC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid

2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 61205392) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
PubChem CID61205392
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)18)16-14(19)15-8-7-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMZLJICUHSLLJKC-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
4-amino-2-(2-cyclopentylethylcarbamoylamino)-4-oxobutanoic acid
CID 61205396
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid (CID 61205392) is 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid is CC(C)CC(NC(=O)NCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is MZLJICUHSLLJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)18)16-14(19)15-8-7-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid?
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 61205392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).