2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid

C13H21NO4 — CID 3823452

IUPAC2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCOCC2)CCCC1
InChIInChI=1S/C13H21NO4/c15-11(14-5-7-18-8-6-14)9-13(10-12(16)17)3-1-2-4-13/h1-10H2,(H,16,17)
InChIKeyJCWWXZGJUKUHGW-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.27
Rot. Bonds4

About 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid

2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid (PubChem CID 3823452) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid
PubChem CID3823452
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCOCC2)CCCC1
InChIInChI=1S/C13H21NO4/c15-11(14-5-7-18-8-6-14)9-13(10-12(16)17)3-1-2-4-13/h1-10H2,(H,16,17)
InChIKeyJCWWXZGJUKUHGW-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid (CID 3823452) is 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCOCC2)CCCC1.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid?
The InChIKey is JCWWXZGJUKUHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-11(14-5-7-18-8-6-14)9-13(10-12(16)17)3-1-2-4-13/h1-10H2,(H,16,17).
What are the key properties of 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid?
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 3823452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).