4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid

C14H26N2O3 — CID 80541030

IUPAC4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC1CCCC(NC(=O)NCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-11-5-4-6-12(9-11)16-14(19)15-8-7-10(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHVHNLPWZKZTPDS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

About 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid

4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 80541030) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID80541030
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC1CCCC(NC(=O)NCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-3-11-5-4-6-12(9-11)16-14(19)15-8-7-10(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyHVHNLPWZKZTPDS-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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

(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81069457
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235
3-[(3-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 64743923
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
2-amino-N-(3-ethylcyclohexyl)pentanamide;hydrochloride
CID 119329059
2-methyl-4-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114121821
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (CID 80541030) is 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is CCC1CCCC(NC(=O)NCCC(C)C(=O)O)C1.
What is the InChIKey of 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is HVHNLPWZKZTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11-5-4-6-12(9-11)16-14(19)15-8-7-10(2)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 80541030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).