4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid

C13H15NO5 — CID 117009158

IUPAC4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1cccc(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-18-13(17)9-3-2-4-10(7-9)14-5-6-19-8-11(14)12(15)16/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)
InChIKeyPJSBEOFCYYOCQW-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.76
Rot. Bonds3

About 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid

4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid (PubChem CID 117009158) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
PubChem CID117009158
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
SMILESCOC(=O)c1cccc(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-18-13(17)9-3-2-4-10(7-9)14-5-6-19-8-11(14)12(15)16/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)
InChIKeyPJSBEOFCYYOCQW-UHFFFAOYSA-N
XLogP0.76
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
methyl 3-(2,3-diaminomorpholin-4-yl)benzoate
CID 174774066
methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate
CID 178103497
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
3-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 174551516
3-(3-fluoromorpholin-4-yl)benzoyl chloride
CID 174538559
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
ethyl 1-(3-methoxycarbonylphenyl)aziridine-2-carboxylate
CID 117010018
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000
4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 66455443
methyl 3-(3,6-dihydro-2H-pyridin-1-yl)benzoate
CID 91586710

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid (CID 117009158) is 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid is COC(=O)c1cccc(N2CCOCC2C(=O)O)c1.
What is the InChIKey of 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid?
The InChIKey is PJSBEOFCYYOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-13(17)9-3-2-4-10(7-9)14-5-6-19-8-11(14)12(15)16/h2-4,7,11H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid?
4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 117009158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).