2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

C8H10N2O4 — CID 16771058

IUPAC2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(8(12)13)10-7(11)6-3-9-14-5(6)2/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyYSYLFZOZFKUSCO-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.19
Rot. Bonds3

About 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 16771058) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID16771058
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(8(12)13)10-7(11)6-3-9-14-5(6)2/h3-4H,1-2H3,(H,10,11)(H,12,13)
InChIKeyYSYLFZOZFKUSCO-UHFFFAOYSA-N
XLogP0.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 16771058) is 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1oncc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is YSYLFZOZFKUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(8(12)13)10-7(11)6-3-9-14-5(6)2/h3-4H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 16771058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).