1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 43437058

IUPAC1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CCO1
InChIInChI=1S/C13H21NO4/c1-10-9-14(6-7-18-10)11(15)8-13(12(16)17)4-2-3-5-13/h10H,2-9H2,1H3,(H,16,17)
InChIKeyJLNXOVPLLVJPIE-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43437058) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43437058
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CCO1
InChIInChI=1S/C13H21NO4/c1-10-9-14(6-7-18-10)11(15)8-13(12(16)17)4-2-3-5-13/h10H,2-9H2,1H3,(H,16,17)
InChIKeyJLNXOVPLLVJPIE-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43437058) is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1CN(C(=O)CC2(C(=O)O)CCCC2)CCO1.
What is the InChIKey of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is JLNXOVPLLVJPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10-9-14(6-7-18-10)11(15)8-13(12(16)17)4-2-3-5-13/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43437058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).