4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid

C14H26N2O3 — CID 80540743

IUPAC4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)NC1CCCC(C)C1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9-5-4-6-12(11(9)3)16-14(19)15-8-7-10(2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyIGDRHFHUAPAJSL-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.22
Rot. Bonds5

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

4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 80540743) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID80540743
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)NC1CCCC(C)C1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-9-5-4-6-12(11(9)3)16-14(19)15-8-7-10(2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyIGDRHFHUAPAJSL-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 80541155
2-methyl-4-[(2-methylsulfanylcyclopentyl)carbamoylamino]butanoic acid
CID 114121821
4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840239
2-methyl-4-[(2-methyloxolan-3-yl)carbamoylamino]butanoic acid
CID 82728122
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
CID 65289434
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64916472
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (CID 80540743) is 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is CC(CCNC(=O)NC1CCCC(C)C1C)C(=O)O.
What is the InChIKey of 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is IGDRHFHUAPAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9-5-4-6-12(11(9)3)16-14(19)15-8-7-10(2)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 80540743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).