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

C19H20N2O4 — CID 129468648

IUPAC4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-13-17(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,24)(H,22,23)/t17-/m0/s1
InChIKeyBAKPYVSDSLOMLI-KRWDZBQOSA-N
MW340.38 g/mol
LogP2.67
Rot. Bonds4

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

4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 129468648) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
PubChem CID129468648
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCOC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-13-17(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,24)(H,22,23)/t17-/m0/s1
InChIKeyBAKPYVSDSLOMLI-KRWDZBQOSA-N
XLogP2.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate
CID 124505489
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
CID 130248478
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
2,3-dihydro-1-benzofuran-3-yl-(3-phenylmorpholin-4-yl)methanone
CID 71993262

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid (CID 129468648) is 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCOC[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is BAKPYVSDSLOMLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(23)16-8-6-14(7-9-16)12-20-19(24)21-10-11-25-13-17(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,20,24)(H,22,23)/t17-/m0/s1.
What are the key properties of 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 129468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).