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

C20H19ClN2O5 — CID 110165760

IUPAC2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19ClN2O5/c21-15-8-4-5-13(9-15)11-23-16(24)12-28-19(20(27)22-10-17(25)26)18(23)14-6-2-1-3-7-14/h1-9,18-19H,10-12H2,(H,22,27)(H,25,26)/t18-,19+/m1/s1
InChIKeyKWWUFCIGFOEZHE-MOPGFXCFSA-N
MW402.83 g/mol
LogP2.01
Rot. Bonds6

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

2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid (PubChem CID 110165760) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
PubChem CID110165760
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19ClN2O5/c21-15-8-4-5-13(9-15)11-23-16(24)12-28-19(20(27)22-10-17(25)26)18(23)14-6-2-1-3-7-14/h1-9,18-19H,10-12H2,(H,22,27)(H,25,26)/t18-,19+/m1/s1
InChIKeyKWWUFCIGFOEZHE-MOPGFXCFSA-N
XLogP2.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[2-(3-chlorophenyl)ethyl-[(2R,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid
CID 110077275
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
2-[[(2R,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]-[(2,3-difluorophenyl)methyl]amino]acetic acid
CID 110077272
2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]-[2-(4-methoxyphenyl)ethyl]amino]acetic acid
CID 110077273
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
CID 134349573
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(5S)-1-[(3-chlorophenyl)methyl]-5-phenylimidazolidin-2-one
CID 124677204
(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124709648
2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060184

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid (CID 110165760) is 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
The InChIKey is KWWUFCIGFOEZHE-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c21-15-8-4-5-13(9-15)11-23-16(24)12-28-19(20(27)22-10-17(25)26)18(23)14-6-2-1-3-7-14/h1-9,18-19H,10-12H2,(H,22,27)(H,25,26)/t18-,19+/m1/s1.
What are the key properties of 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid?
2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid has a molecular weight of 402.83 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 110165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).