2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid

C12H19NO5 — CID 4193724

IUPAC2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H19NO5/c1-2-18-10(14)7-13-11(15)8-5-3-4-6-9(8)12(16)17/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyUTWDRVZGQZNCMK-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.56
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 4193724) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID4193724
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H19NO5/c1-2-18-10(14)7-13-11(15)8-5-3-4-6-9(8)12(16)17/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyUTWDRVZGQZNCMK-UHFFFAOYSA-N
XLogP0.56
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 4193724) is 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid is CCOC(=O)CNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UTWDRVZGQZNCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-2-18-10(14)7-13-11(15)8-5-3-4-6-9(8)12(16)17/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 4193724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).