2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid

C12H14N2O4 — CID 163946363

IUPAC2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
SMILESN[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O4/c13-11-12(17)14(6-10(15)16)9(7-18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,15,16)/t9-,11-/m0/s1
InChIKeyRVKZGNGHAFFKAL-ONGXEEELSA-N
MW250.25 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid

2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid (PubChem CID 163946363) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
PubChem CID163946363
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
SMILESN[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)O)C1=O
InChIInChI=1S/C12H14N2O4/c13-11-12(17)14(6-10(15)16)9(7-18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,15,16)/t9-,11-/m0/s1
InChIKeyRVKZGNGHAFFKAL-ONGXEEELSA-N
XLogP-0.04
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10847476
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CID 66587194
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
CID 19087968
2-[(2S)-5-(1,3-dioxoisoindol-2-yl)-4-oxo-2-phenyl-1,3-thiazinan-3-yl]acetic acid
CID 70059603
benzyl (3S,7aR)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate
CID 10042687
(3R,6R,8aS)-6-benzyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102383128
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
CID 59370448
2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
CID 129415062
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid (CID 163946363) is 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid is N[C@H]1OC[C@@H](c2ccccc2)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid?
The InChIKey is RVKZGNGHAFFKAL-ONGXEEELSA-N. The full InChI is InChI=1S/C12H14N2O4/c13-11-12(17)14(6-10(15)16)9(7-18-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,13H2,(H,15,16)/t9-,11-/m0/s1.
What are the key properties of 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid?
2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 163946363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).