4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid

C16H18ClNO4 — CID 122135290

IUPAC4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCO1
InChIInChI=1S/C16H18ClNO4/c17-12-4-2-11(3-5-12)16(6-1-7-16)15(21)18-8-9-22-13(10-18)14(19)20/h2-5,13H,1,6-10H2,(H,19,20)
InChIKeyRZEUCANHNVNAGE-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.07
Rot. Bonds3

About 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid

4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 122135290) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
PubChem CID122135290
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCO1
InChIInChI=1S/C16H18ClNO4/c17-12-4-2-11(3-5-12)16(6-1-7-16)15(21)18-8-9-22-13(10-18)14(19)20/h2-5,13H,1,6-10H2,(H,19,20)
InChIKeyRZEUCANHNVNAGE-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid (CID 122135290) is 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCO1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is RZEUCANHNVNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c17-12-4-2-11(3-5-12)16(6-1-7-16)15(21)18-8-9-22-13(10-18)14(19)20/h2-5,13H,1,6-10H2,(H,19,20).
What are the key properties of 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid?
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 323.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 122135290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).