3-(3-methoxyphenyl)morpholine-3-carboxylic acid

C12H15NO4 — CID 105498805

IUPAC3-(3-methoxyphenyl)morpholine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)COCCN2)c1
InChIInChI=1S/C12H15NO4/c1-16-10-4-2-3-9(7-10)12(11(14)15)8-17-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyALWXWXIFDANMFE-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.59
Rot. Bonds3

About 3-(3-methoxyphenyl)morpholine-3-carboxylic acid

3-(3-methoxyphenyl)morpholine-3-carboxylic acid (PubChem CID 105498805) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)morpholine-3-carboxylic acid
PubChem CID105498805
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-(3-methoxyphenyl)morpholine-3-carboxylic acid
SMILESCOc1cccc(C2(C(=O)O)COCCN2)c1
InChIInChI=1S/C12H15NO4/c1-16-10-4-2-3-9(7-10)12(11(14)15)8-17-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyALWXWXIFDANMFE-UHFFFAOYSA-N
XLogP0.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
5-(3-methoxyphenyl)-5-phenyl-1,2-oxazolidine
CID 10634765
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675
3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115064566
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
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ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)morpholine-3-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)morpholine-3-carboxylic acid (CID 105498805) is 3-(3-methoxyphenyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)morpholine-3-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)morpholine-3-carboxylic acid is COc1cccc(C2(C(=O)O)COCCN2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)morpholine-3-carboxylic acid?
The InChIKey is ALWXWXIFDANMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-10-4-2-3-9(7-10)12(11(14)15)8-17-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)morpholine-3-carboxylic acid?
3-(3-methoxyphenyl)morpholine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 105498805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).