2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid

C12H13N3O4 — CID 10849133

IUPAC2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESCc1cccc(-c2o[nH]c(=O)c2CC(N)C(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-6-3-2-4-9(14-6)10-7(11(16)15-19-10)5-8(13)12(17)18/h2-4,8H,5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTTRPAKGWMSJEI-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.29
Rot. Bonds4

About 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid

2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (PubChem CID 10849133) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
PubChem CID10849133
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid
SMILESCc1cccc(-c2o[nH]c(=O)c2CC(N)C(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-6-3-2-4-9(14-6)10-7(11(16)15-19-10)5-8(13)12(17)18/h2-4,8H,5,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyCTTRPAKGWMSJEI-UHFFFAOYSA-N
XLogP0.29
TPSA122.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid (CID 10849133) is 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is Cc1cccc(-c2o[nH]c(=O)c2CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
The InChIKey is CTTRPAKGWMSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6-3-2-4-9(14-6)10-7(11(16)15-19-10)5-8(13)12(17)18/h2-4,8H,5,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid?
2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 10849133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).