4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid

C11H19NO3 — CID 115270020

IUPAC4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12(2)9-6-4-8(5-7-9)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWRXJHBKTWUJIBL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid

4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115270020) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115270020
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-3-10(13)12(2)9-6-4-8(5-7-9)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyWRXJHBKTWUJIBL-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 115277291
4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115277300
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid (CID 115270020) is 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid is CCC(=O)N(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WRXJHBKTWUJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(13)12(2)9-6-4-8(5-7-9)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid?
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).