2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid

C15H28N2O3 — CID 102628588

IUPAC2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CCC(N)C(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-8(2)12(14(19)20)17-13(18)10-6-7-11(16)9(3)15(10,4)5/h8-12H,6-7,16H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyAKXNXQQDQJUVNX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds4

About 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid

2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 102628588) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID102628588
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)C1CCC(N)C(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-8(2)12(14(19)20)17-13(18)10-6-7-11(16)9(3)15(10,4)5/h8-12H,6-7,16H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyAKXNXQQDQJUVNX-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
N-[(2-methylcyclohexyl)carbonyl]valine
CID 16487074
N-[(2-methylcyclohexyl)carbonyl]leucine
CID 16487081
3,3-Dimethyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104621955
(2S)-3,3-dimethyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104621969
(2R)-3,3-dimethyl-2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 104622036
4,4,4-Trifluoro-2-[[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]butanoic acid
CID 121878219
2-[[2-(2,2-Dimethylcyclohexyl)acetyl]amino]-4,4,4-trifluorobutanoic acid
CID 121915200
2-[(3,3-Dimethylcyclohexanecarbonyl)amino]-3-fluoropropanoic acid
CID 121945036
2-[[2-(2,2-Dimethylcyclohexyl)acetyl]amino]-3-fluoropropanoic acid
CID 121945039
3-Fluoro-2-[(3,3,5-trimethylcyclohexanecarbonyl)amino]propanoic acid
CID 121945171
2-[[2-(4-Tert-butylcyclohexyl)acetyl]amino]-3-fluoropropanoic acid
CID 121945204

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid (CID 102628588) is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)C1CCC(N)C(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is AKXNXQQDQJUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-8(2)12(14(19)20)17-13(18)10-6-7-11(16)9(3)15(10,4)5/h8-12H,6-7,16H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid?
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 102628588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).