2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid

C21H22N2O5 — CID 110165767

IUPAC2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
SMILESCN1C(=O)CO[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H22N2O5/c1-22-17(24)14-28-20(19(22)16-10-6-3-7-11-16)21(27)23(13-18(25)26)12-15-8-4-2-5-9-15/h2-11,19-20H,12-14H2,1H3,(H,25,26)/t19-,20-/m1/s1
InChIKeyIZAOCRFVIXLOLI-WOJBJXKFSA-N
MW382.42 g/mol
LogP1.70
Rot. Bonds6

About 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid

2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid (PubChem CID 110165767) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
PubChem CID110165767
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
SMILESCN1C(=O)CO[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H22N2O5/c1-22-17(24)14-28-20(19(22)16-10-6-3-7-11-16)21(27)23(13-18(25)26)12-15-8-4-2-5-9-15/h2-11,19-20H,12-14H2,1H3,(H,25,26)/t19-,20-/m1/s1
InChIKeyIZAOCRFVIXLOLI-WOJBJXKFSA-N
XLogP1.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
CID 110165778
3-[[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]-(2-phenylethyl)amino]propanoic acid
CID 110165774
(2R,3R)-N,N-diethyl-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457326
(2S,3R)-N-[(2S)-butan-2-yl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 98768943
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336226
2-[2-(3-chlorophenyl)ethyl-[(2R,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
CID 110077275
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
2-[[(2R,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]-[(2,3-difluorophenyl)methyl]amino]acetic acid
CID 110077272

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid (CID 110165767) is 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid is CN1C(=O)CO[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The InChIKey is IZAOCRFVIXLOLI-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-22-17(24)14-28-20(19(22)16-10-6-3-7-11-16)21(27)23(13-18(25)26)12-15-8-4-2-5-9-15/h2-11,19-20H,12-14H2,1H3,(H,25,26)/t19-,20-/m1/s1.
What are the key properties of 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid has a molecular weight of 382.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2R,3R)-4-methyl-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 110165767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).