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

C14H26N2O3 — CID 102628601

IUPAC2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CCC(N)C(C)C1(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11(13(18)19)16-12(17)9-6-7-10(15)8(2)14(9,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyLAWJYIMUBPZMNX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds4

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

2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid (PubChem CID 102628601) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
PubChem CID102628601
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
SMILESCCC(NC(=O)C1CCC(N)C(C)C1(C)C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11(13(18)19)16-12(17)9-6-7-10(15)8(2)14(9,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyLAWJYIMUBPZMNX-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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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]butanoic acid?
The IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid (CID 102628601) is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid is CCC(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]butanoic acid?
The InChIKey is LAWJYIMUBPZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11(13(18)19)16-12(17)9-6-7-10(15)8(2)14(9,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 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]butanoic acid is sourced from PubChem (CID 102628601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).