1-acetamido-2-methylcyclohexane-1-carboxylic acid

C10H17NO3 — CID 61292640

IUPAC1-acetamido-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C10H17NO3/c1-7-5-3-4-6-10(7,9(13)14)11-8(2)12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKAHOBHKCQXXSMJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds2

About 1-acetamido-2-methylcyclohexane-1-carboxylic acid

1-acetamido-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61292640) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-acetamido-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamido-2-methylcyclohexane-1-carboxylic acid
PubChem CID61292640
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-acetamido-2-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C10H17NO3/c1-7-5-3-4-6-10(7,9(13)14)11-8(2)12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKAHOBHKCQXXSMJ-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

1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 115000314
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293759
2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 55047892
2-methyl-1-(2-methylsulfonylpropanoylamino)cyclohexane-1-carboxylic acid
CID 104517539

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-acetamido-2-methylcyclohexane-1-carboxylic acid (CID 61292640) is 1-acetamido-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-acetamido-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-acetamido-2-methylcyclohexane-1-carboxylic acid is CC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 1-acetamido-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is KAHOBHKCQXXSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-5-3-4-6-10(7,9(13)14)11-8(2)12/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-acetamido-2-methylcyclohexane-1-carboxylic acid?
1-acetamido-2-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 1-acetamido-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).