2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 120546470

IUPAC2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCNC(=O)CCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-10-16-12(18)7-8-13(19)17-15(2)9-5-4-6-11(15)14(20)21/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGASDVYQVFDFVJF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds7

About 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120546470) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120546470
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCNC(=O)CCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-10-16-12(18)7-8-13(19)17-15(2)9-5-4-6-11(15)14(20)21/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGASDVYQVFDFVJF-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546535
2-[3-(4-bromophenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546495
2-methyl-2-[(2-propan-2-ylsulfonylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546085
2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546221
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546195
2-[(3-acetamido-3-phenylpropanoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546015
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid (CID 120546470) is 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid is CCCNC(=O)CCC(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GASDVYQVFDFVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-10-16-12(18)7-8-13(19)17-15(2)9-5-4-6-11(15)14(20)21/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).