2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid

C15H27NO3 — CID 65300395

IUPAC2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
SMILESCCCC1CCC(NC(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)16-13(17)10-15(2,3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXFAMDQOOGXVQKK-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds6

About 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid

2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid (PubChem CID 65300395) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
PubChem CID65300395
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
SMILESCCCC1CCC(NC(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)16-13(17)10-15(2,3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyXFAMDQOOGXVQKK-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
2-(tert-butylamino)-N-(4-propylcyclohexyl)acetamide
CID 78986680
3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
CID 64700488
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
1-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55035364
4-oxo-4-[(4-propylcyclohexyl)amino]but-2-enoic acid
CID 54962888
2,2-diethyl-4-[(4-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 43529702
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid (CID 65300395) is 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid is CCCC1CCC(NC(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid?
The InChIKey is XFAMDQOOGXVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-5-11-6-8-12(9-7-11)16-13(17)10-15(2,3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid?
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 65300395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).