4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid

C15H18ClNO5 — CID 119239847

IUPAC4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCOC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C15H18ClNO5/c1-21-12-4-2-10(8-11(12)16)3-5-14(18)17-6-7-22-13(9-17)15(19)20/h2,4,8,13H,3,5-7,9H2,1H3,(H,19,20)
InChIKeyXCPLCPARNQEVOH-UHFFFAOYSA-N
MW327.76 g/mol
LogP1.59
Rot. Bonds5

About 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid

4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119239847) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
PubChem CID119239847
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCOC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C15H18ClNO5/c1-21-12-4-2-10(8-11(12)16)3-5-14(18)17-6-7-22-13(9-17)15(19)20/h2,4,8,13H,3,5-7,9H2,1H3,(H,19,20)
InChIKeyXCPLCPARNQEVOH-UHFFFAOYSA-N
XLogP1.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[3-(3-chloro-4-methoxyphenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953263
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330
3-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60712683
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
3-(3-bromo-4-methoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81196735
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
4-[3-(2,4-dimethylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239122

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid (CID 119239847) is 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid is COc1ccc(CCC(=O)N2CCOC(C(=O)O)C2)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is XCPLCPARNQEVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO5/c1-21-12-4-2-10(8-11(12)16)3-5-14(18)17-6-7-22-13(9-17)15(19)20/h2,4,8,13H,3,5-7,9H2,1H3,(H,19,20).
What are the key properties of 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid?
4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 327.76 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).