3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

C9H12N2O4 — CID 110836055

IUPAC3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nc(CC(=O)NCCC(=O)O)co1
InChIInChI=1S/C9H12N2O4/c1-6-11-7(5-15-6)4-8(12)10-3-2-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyIWXPTBHVXNHEGX-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.12
Rot. Bonds5

About 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 110836055) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID110836055
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCc1nc(CC(=O)NCCC(=O)O)co1
InChIInChI=1S/C9H12N2O4/c1-6-11-7(5-15-6)4-8(12)10-3-2-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyIWXPTBHVXNHEGX-UHFFFAOYSA-N
XLogP0.12
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 110836055) is 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is Cc1nc(CC(=O)NCCC(=O)O)co1.
What is the InChIKey of 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is IWXPTBHVXNHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-11-7(5-15-6)4-8(12)10-3-2-9(13)14/h5H,2-4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110836055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).