3-(3-methylphenyl)morpholine-3-carboxylic acid

C12H15NO3 — CID 105477316

IUPAC3-(3-methylphenyl)morpholine-3-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)COCCN2)c1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)12(11(14)15)8-16-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyVEOLSAAONXYPNL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.89
Rot. Bonds2

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

3-(3-methylphenyl)morpholine-3-carboxylic acid (PubChem CID 105477316) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3-methylphenyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)morpholine-3-carboxylic acid
PubChem CID105477316
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-(3-methylphenyl)morpholine-3-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)COCCN2)c1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)12(11(14)15)8-16-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyVEOLSAAONXYPNL-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)morpholine-3-carboxylic acid
CID 105498805
3-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 117272209
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
2,3,4,5-tetrakis(3-methylphenyl)oxolane-2,3,4,5-tetracarboxylic acid
CID 66808518
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353598
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
3-(3-methylbenzoyl)oxetane-3-carboxylic acid
CID 116922434
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
acetic acid;azane;1,3-xylene
CID 21426934
[3-(3-fluorophenyl)morpholin-3-yl]methanol
CID 105464862
(3S)-3-(3-methylphenyl)oxolane-3-carbonitrile
CID 125063215

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)morpholine-3-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)morpholine-3-carboxylic acid (CID 105477316) is 3-(3-methylphenyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)morpholine-3-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)morpholine-3-carboxylic acid is Cc1cccc(C2(C(=O)O)COCCN2)c1.
What is the InChIKey of 3-(3-methylphenyl)morpholine-3-carboxylic acid?
The InChIKey is VEOLSAAONXYPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-3-2-4-10(7-9)12(11(14)15)8-16-6-5-13-12/h2-4,7,13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-(3-methylphenyl)morpholine-3-carboxylic acid?
3-(3-methylphenyl)morpholine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 105477316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).