1-acetamido-4-hydroxycyclohexane-1-carboxylic acid

C9H15NO4 — CID 58016743

IUPAC1-acetamido-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC(O)CC1
InChIInChI=1S/C9H15NO4/c1-6(11)10-9(8(13)14)4-2-7(12)3-5-9/h7,12H,2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyJRWJIWLFWJGHLX-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.12
Rot. Bonds2

About 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid

1-acetamido-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 58016743) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamido-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID58016743
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-acetamido-4-hydroxycyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC(O)CC1
InChIInChI=1S/C9H15NO4/c1-6(11)10-9(8(13)14)4-2-7(12)3-5-9/h7,12H,2-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyJRWJIWLFWJGHLX-UHFFFAOYSA-N
XLogP-0.12
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid (CID 58016743) is 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid is CC(=O)NC1(C(=O)O)CCC(O)CC1.
What is the InChIKey of 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is JRWJIWLFWJGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)10-9(8(13)14)4-2-7(12)3-5-9/h7,12H,2-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid?
1-acetamido-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 58016743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).