3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid

C19H19NO4 — CID 124688908

IUPAC3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
SMILESC[C@@]1(c2ccccc2)CN(C(=O)c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C19H19NO4/c1-19(16-8-3-2-4-9-16)13-20(10-11-24-19)17(21)14-6-5-7-15(12-14)18(22)23/h2-9,12H,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyPYJPWUMEDHGZPX-IBGZPJMESA-N
MW325.36 g/mol
LogP2.77
Rot. Bonds3

About 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid

3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid (PubChem CID 124688908) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
PubChem CID124688908
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
SMILESC[C@@]1(c2ccccc2)CN(C(=O)c2cccc(C(=O)O)c2)CCO1
InChIInChI=1S/C19H19NO4/c1-19(16-8-3-2-4-9-16)13-20(10-11-24-19)17(21)14-6-5-7-15(12-14)18(22)23/h2-9,12H,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyPYJPWUMEDHGZPX-IBGZPJMESA-N
XLogP2.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126840002
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133379436
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
2-[(2R)-2-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 124692791
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
1-[4-(2-methyl-2-phenylmorpholin-4-yl)-4-oxobutan-2-yl]pyrrolidin-2-one
CID 127267540

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid?
The IUPAC name of 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid (CID 124688908) is 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid.
What is the SMILES notation for 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid?
The canonical SMILES for 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid is C[C@@]1(c2ccccc2)CN(C(=O)c2cccc(C(=O)O)c2)CCO1.
What is the InChIKey of 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid?
The InChIKey is PYJPWUMEDHGZPX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(16-8-3-2-4-9-16)13-20(10-11-24-19)17(21)14-6-5-7-15(12-14)18(22)23/h2-9,12H,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid?
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid is sourced from PubChem (CID 124688908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).