4-acetamido-1-methylcyclohexane-1-carboxylic acid

C10H17NO3 — CID 54516442

IUPAC4-acetamido-1-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11-8-3-5-10(2,6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYMTFDHMTICDCCW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds2

About 4-acetamido-1-methylcyclohexane-1-carboxylic acid

4-acetamido-1-methylcyclohexane-1-carboxylic acid (PubChem CID 54516442) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-acetamido-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-1-methylcyclohexane-1-carboxylic acid
PubChem CID54516442
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-acetamido-1-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11-8-3-5-10(2,6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyYMTFDHMTICDCCW-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-((1-((4-(Dimethylcarbamoyl)cyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682380
2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
5-(Cyclohexylamino)-5-oxo-2-propylpentanoic acid
CID 2938780
cis-2-((1-((4-Carbamoylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11515875
2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
2-(1-(Acetamidomethyl)cyclohexyl)acetic acid
CID 5248228
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
3-[1-(Acetylamino)ethyl]-1-adamantanecarboxylic acid
CID 2940952
(S)-5-((S)-Hexadecanoylamino)-7-methyl-octanoic acid
CID 9979014
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-acetamido-1-methylcyclohexane-1-carboxylic acid (CID 54516442) is 4-acetamido-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-acetamido-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-acetamido-1-methylcyclohexane-1-carboxylic acid is CC(=O)NC1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-acetamido-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is YMTFDHMTICDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11-8-3-5-10(2,6-4-8)9(13)14/h8H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-acetamido-1-methylcyclohexane-1-carboxylic acid?
4-acetamido-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 54516442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).