2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid

C15H18N2O6 — CID 22561648

IUPAC2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid
SMILESCC(C(=O)O)N1OCC(O)C(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O6/c1-9(15(21)22)17-14(20)13(11(18)8-23-17)16-12(19)7-10-5-3-2-4-6-10/h2-6,9,11,13,18H,7-8H2,1H3,(H,16,19)(H,21,22)
InChIKeyCOIDZWFDWKLYRQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.68
Rot. Bonds5

About 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid

2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid (PubChem CID 22561648) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid
PubChem CID22561648
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid
SMILESCC(C(=O)O)N1OCC(O)C(NC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O6/c1-9(15(21)22)17-14(20)13(11(18)8-23-17)16-12(19)7-10-5-3-2-4-6-10/h2-6,9,11,13,18H,7-8H2,1H3,(H,16,19)(H,21,22)
InChIKeyCOIDZWFDWKLYRQ-UHFFFAOYSA-N
XLogP-0.68
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid
CID 59124125
3-[2-fluoro-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-4-methylpent-4-enoic acid
CID 70482768
N-[(6R)-2-iodo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 134260107
(6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
CID 6575409
methyl (2S,5R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70367326
(6S)-3,8-dioxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
CID 54020590
(6S,8R,9R)-4,5-dimethyl-10-oxo-9-[(2-phenylacetyl)amino]-7-thia-1-azatricyclo[6.2.0.03,6]deca-2,4-diene-2-carboxylic acid
CID 57230372
(6R,8R,9R)-10-oxo-9-[(2-phenylacetyl)amino]-5-trimethylsilyl-7-thia-1-azatricyclo[6.2.0.03,6]deca-2,4-diene-2-carboxylic acid
CID 54325284
N-cyclopropyl-2-phenylacetamide
CID 5175687
[(3S)-2-oxooxolan-3-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848057
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid azide
CID 86736687
(2S,5S,6R)-3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 6562501

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid?
The IUPAC name of 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid (CID 22561648) is 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid?
The canonical SMILES for 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid is CC(C(=O)O)N1OCC(O)C(NC(=O)Cc2ccccc2)C1=O.
What is the InChIKey of 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid?
The InChIKey is COIDZWFDWKLYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-9(15(21)22)17-14(20)13(11(18)8-23-17)16-12(19)7-10-5-3-2-4-6-10/h2-6,9,11,13,18H,7-8H2,1H3,(H,16,19)(H,21,22).
What are the key properties of 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid?
2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid has a molecular weight of 322.32 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-oxo-4-[(2-phenylacetyl)amino]oxazinan-2-yl]propanoic acid is sourced from PubChem (CID 22561648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).