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

C10H17NO3 — CID 23062646

IUPAC4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQWHJHRKERQLTPT-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds2

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

4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 23062646) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID23062646
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQWHJHRKERQLTPT-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Dimethylamino)cyclohexane-1-carboxylic acid hydrochloride
CID 68452337
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
3-[(3R,4S)-4-(dimethylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 164637806
trans-4-(Dimethylamino)cyclohexanecarboxylic acid
CID 14876726
trans-4-(1-Pyrrolidinyl)cyclohexanecarboxylate hydrochloride
CID 68450221
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 121438663
4-(Dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
CID 146451362
4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 153044440
4-[Butyl(2-fluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 176663350

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 23062646) is 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid is CC(=O)N(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QWHJHRKERQLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11(2)9-5-3-8(4-6-9)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid?
4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23062646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).