1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H25NO4 — CID 43578291

IUPAC1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H25NO4/c1-3-12-10-20-11(2)9-16(12)13(17)8-15(14(18)19)6-4-5-7-15/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyTWAFJUGDAGVBLU-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43578291) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43578291
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C15H25NO4/c1-3-12-10-20-11(2)9-16(12)13(17)8-15(14(18)19)6-4-5-7-15/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyTWAFJUGDAGVBLU-UHFFFAOYSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43578291) is 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCC1COC(C)CN1C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is TWAFJUGDAGVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-12-10-20-11(2)9-16(12)13(17)8-15(14(18)19)6-4-5-7-15/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43578291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).