2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid

C8H10N2O4 — CID 83617820

IUPAC2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cnoc1)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13)2-9-7(11)6-3-10-14-4-6/h3-5H,2H2,1H3,(H,9,11)(H,12,13)
InChIKeySNSOTIVRRJNJHO-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.13
Rot. Bonds4

About 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid

2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid (PubChem CID 83617820) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
PubChem CID83617820
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cnoc1)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-5(8(12)13)2-9-7(11)6-3-10-14-4-6/h3-5H,2H2,1H3,(H,9,11)(H,12,13)
InChIKeySNSOTIVRRJNJHO-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid (CID 83617820) is 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid is CC(CNC(=O)c1cnoc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid?
The InChIKey is SNSOTIVRRJNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(8(12)13)2-9-7(11)6-3-10-14-4-6/h3-5H,2H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid?
2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid is sourced from PubChem (CID 83617820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).