1-acetamidocyclohexane-1-carboxylic acid

C9H15NO3 — CID 11672793

IUPAC1-acetamidocyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyAPYLGUGGCARYFQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.91
Rot. Bonds2

About 1-acetamidocyclohexane-1-carboxylic acid

1-acetamidocyclohexane-1-carboxylic acid (PubChem CID 11672793) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-acetamidocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamidocyclohexane-1-carboxylic acid
PubChem CID11672793
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-acetamidocyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyAPYLGUGGCARYFQ-UHFFFAOYSA-N
XLogP0.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetamidocyclopentane-1-carboxylic acid
CID 229296
1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid
CID 2794744
1-(Methylamino)cyclohexanecarboxylic acid
CID 228213
1-Acetamido-4-methylcyclohexane-1-carboxylic acid
CID 43163090
1-(2,2,2-Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 18949399
1-((Methoxycarbonyl)amino)cyclohexanecarboxylic acid
CID 11600874
2-Methyl-7-oxoazepane-2-carboxylic acid
CID 84021767
2-Ethyl-7-oxoazepane-2-carboxylic acid
CID 86820441
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857
1-[(Cyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707108
2-(1-Acetamidocyclohexyl)acetic acid
CID 25775332

Frequently Asked Questions

What is the IUPAC name of 1-acetamidocyclohexane-1-carboxylic acid?
The IUPAC name of 1-acetamidocyclohexane-1-carboxylic acid (CID 11672793) is 1-acetamidocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-acetamidocyclohexane-1-carboxylic acid?
The canonical SMILES for 1-acetamidocyclohexane-1-carboxylic acid is CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-acetamidocyclohexane-1-carboxylic acid?
The InChIKey is APYLGUGGCARYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 1-acetamidocyclohexane-1-carboxylic acid?
1-acetamidocyclohexane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidocyclohexane-1-carboxylic acid is sourced from PubChem (CID 11672793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).