2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid

C18H22ClNO4 — CID 119248198

IUPAC2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CCO1
InChIInChI=1S/C18H22ClNO4/c19-14-5-3-4-13(10-14)18(6-1-2-7-18)17(23)20-8-9-24-15(12-20)11-16(21)22/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22)
InChIKeyKTIPBKDBNLYRJT-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid

2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248198) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID119248198
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CCO1
InChIInChI=1S/C18H22ClNO4/c19-14-5-3-4-13(10-14)18(6-1-2-7-18)17(23)20-8-9-24-15(12-20)11-16(21)22/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22)
InChIKeyKTIPBKDBNLYRJT-UHFFFAOYSA-N
XLogP2.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid (CID 119248198) is 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CCO1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is KTIPBKDBNLYRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c19-14-5-3-4-13(10-14)18(6-1-2-7-18)17(23)20-8-9-24-15(12-20)11-16(21)22/h3-5,10,15H,1-2,6-9,11-12H2,(H,21,22).
What are the key properties of 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 351.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).