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

C14H26N2O3 — CID 102628599

IUPAC3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-8(7-12(17)18)16-13(19)10-5-6-11(15)9(2)14(10,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyMFGCZPSKWBPRAL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds4

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

3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid (PubChem CID 102628599) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
PubChem CID102628599
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N2O3/c1-8(7-12(17)18)16-13(19)10-5-6-11(15)9(2)14(10,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyMFGCZPSKWBPRAL-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 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid with MolForge

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Related Compounds

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106176981
2-(2,2-Dimethylbutanoylamino)-6-methylcyclohexane-1-carboxylic acid
CID 22082197
3-[(4-Tert-butylcyclohexanecarbonyl)amino]butanoic acid
CID 43240660
3-[(4-Carbamoylcyclohexyl)amino]butanoic acid
CID 61044219
3-[(4-Aminocyclohexanecarbonyl)amino]propanoic acid
CID 61156730
3-[(4-Aminocyclohexanecarbonyl)amino]butanoic acid
CID 61160620
3-[(4-Aminocyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62675196
3-[(4-Aminocyclohexanecarbonyl)-ethylamino]butanoic acid
CID 62827130
2-[[(2-Aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223922
2-[[(3-Aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
2-[[(4-Aminocyclohexanecarbonyl)amino]methyl]pentanoic acid
CID 65223942
2-[[(4-Aminocyclohexanecarbonyl)amino]methyl]butanoic acid
CID 65224139

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid (CID 102628599) is 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
The InChIKey is MFGCZPSKWBPRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-8(7-12(17)18)16-13(19)10-5-6-11(15)9(2)14(10,3)4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid?
3-[(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 3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 102628599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).