(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid

C10H16N2O6 — CID 59124125

IUPAC(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid
SMILESCCC(=O)N[C@H]1C(=O)N([C@H](C)C(=O)O)OC[C@@H]1O
InChIInChI=1S/C10H16N2O6/c1-3-7(14)11-8-6(13)4-18-12(9(8)15)5(2)10(16)17/h5-6,8,13H,3-4H2,1-2H3,(H,11,14)(H,16,17)/t5-,6+,8-/m1/s1
InChIKeyYYISDUSOUMOFGK-GKROBHDKSA-N
MW260.25 g/mol
LogP-1.51
Rot. Bonds4

About (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid

(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid (PubChem CID 59124125) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid
PubChem CID59124125
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid
SMILESCCC(=O)N[C@H]1C(=O)N([C@H](C)C(=O)O)OC[C@@H]1O
InChIInChI=1S/C10H16N2O6/c1-3-7(14)11-8-6(13)4-18-12(9(8)15)5(2)10(16)17/h5-6,8,13H,3-4H2,1-2H3,(H,11,14)(H,16,17)/t5-,6+,8-/m1/s1
InChIKeyYYISDUSOUMOFGK-GKROBHDKSA-N
XLogP-1.51
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid (CID 59124125) is (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid is CCC(=O)N[C@H]1C(=O)N([C@H](C)C(=O)O)OC[C@@H]1O.
What is the InChIKey of (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid?
The InChIKey is YYISDUSOUMOFGK-GKROBHDKSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-3-7(14)11-8-6(13)4-18-12(9(8)15)5(2)10(16)17/h5-6,8,13H,3-4H2,1-2H3,(H,11,14)(H,16,17)/t5-,6+,8-/m1/s1.
What are the key properties of (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid?
(2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid has a molecular weight of 260.25 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5R)-5-hydroxy-3-oxo-4-(propanoylamino)oxazinan-2-yl]propanoic acid is sourced from PubChem (CID 59124125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).