3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid

C13H24N2O3 — CID 113308086

IUPAC3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C(=O)NCC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,11(16)17)9-14-12(18)15(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJOXNZQSLIVVQGQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

About 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid

3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 113308086) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID113308086
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(C(=O)NCC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,11(16)17)9-14-12(18)15(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJOXNZQSLIVVQGQ-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308124
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
CID 43384978
3-[[cycloheptyl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266389
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (CID 113308086) is 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is CN(C(=O)NCC(C)(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is JOXNZQSLIVVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,11(16)17)9-14-12(18)15(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).