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

C14H26N2O3 — CID 79801005

IUPAC2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NC1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(4,12(17)18)16-13(19)15-11-7-6-9(2)10(3)8-11/h9-11H,5-8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyDUMATUIHZIVKFI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.36
Rot. Bonds4

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

2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79801005) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79801005
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NC1CCC(C)C(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(4,12(17)18)16-13(19)15-11-7-6-9(2)10(3)8-11/h9-11H,5-8H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyDUMATUIHZIVKFI-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
(2R)-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 64741574
2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide
CID 113270099
2-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 79801781
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid
CID 65264467
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]butanoic acid
CID 79800935
ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
CID 64743741

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid (CID 79801005) is 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)NC1CCC(C)C(C)C1)C(=O)O.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is DUMATUIHZIVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(4,12(17)18)16-13(19)15-11-7-6-9(2)10(3)8-11/h9-11H,5-8H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid?
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79801005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).