2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid

C14H17NO4 — CID 106773928

IUPAC2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
SMILESC[C@@H]1COCCN1C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-9-19-7-6-15(10)13(16)8-11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyGRAGGFJEHJHLLW-SNVBAGLBSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds3

About 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid

2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid (PubChem CID 106773928) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
PubChem CID106773928
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
SMILESC[C@@H]1COCCN1C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H17NO4/c1-10-9-19-7-6-15(10)13(16)8-11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyGRAGGFJEHJHLLW-SNVBAGLBSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
1-(3-methylmorpholin-4-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 56819557
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
1-[(3S)-3-methylmorpholin-4-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 94647439
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid (CID 106773928) is 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid is C[C@@H]1COCCN1C(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid?
The InChIKey is GRAGGFJEHJHLLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-9-19-7-6-15(10)13(16)8-11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid?
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 106773928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).