3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

C8H10N2O4 — CID 15007135

IUPAC3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NCCC(=O)O
InChIInChI=1S/C8H10N2O4/c1-5-6(4-10-14-5)8(13)9-3-2-7(11)12/h4H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyDBVRNDLCWSOIQE-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.19
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid

3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 15007135) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID15007135
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NCCC(=O)O
InChIInChI=1S/C8H10N2O4/c1-5-6(4-10-14-5)8(13)9-3-2-7(11)12/h4H,2-3H2,1H3,(H,9,13)(H,11,12)
InChIKeyDBVRNDLCWSOIQE-UHFFFAOYSA-N
XLogP0.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 15007135) is 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1oncc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is DBVRNDLCWSOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-6(4-10-14-5)8(13)9-3-2-7(11)12/h4H,2-3H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 15007135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).