2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid

C14H25NO3 — CID 55146705

IUPAC2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCCC1CN(C2CCCCCC2C(=O)O)CCO1
InChIInChI=1S/C14H25NO3/c1-2-11-10-15(8-9-18-11)13-7-5-3-4-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyUSIMEVSDOJNWOC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds3

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

2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (PubChem CID 55146705) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
PubChem CID55146705
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid
SMILESCCC1CN(C2CCCCCC2C(=O)O)CCO1
InChIInChI=1S/C14H25NO3/c1-2-11-10-15(8-9-18-11)13-7-5-3-4-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyUSIMEVSDOJNWOC-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid (CID 55146705) is 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is CCC1CN(C2CCCCCC2C(=O)O)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
The InChIKey is USIMEVSDOJNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-11-10-15(8-9-18-11)13-7-5-3-4-6-12(13)14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid?
2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 55146705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).