1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid

C16H27NO4 — CID 43562549

IUPAC1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCCC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CCO1
InChIInChI=1S/C16H27NO4/c1-2-13-12-17(9-10-21-13)14(18)11-16(15(19)20)7-5-3-4-6-8-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyWNISSZOHALYGAX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 43562549) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID43562549
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCCC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CCO1
InChIInChI=1S/C16H27NO4/c1-2-13-12-17(9-10-21-13)14(18)11-16(15(19)20)7-5-3-4-6-8-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyWNISSZOHALYGAX-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-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 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 43562549) is 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid is CCC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CCO1.
What is the InChIKey of 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is WNISSZOHALYGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-13-12-17(9-10-21-13)14(18)11-16(15(19)20)7-5-3-4-6-8-16/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43562549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).