2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid

C9H12N2O4 — CID 110836073

IUPAC2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1ncco1)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-6(9(13)14)11-7(12)5-8-10-3-4-15-8/h3-4,6H,2,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXZKVGKWXJAPGCK-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.20
Rot. Bonds5

About 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid

2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 110836073) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid
PubChem CID110836073
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1ncco1)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-2-6(9(13)14)11-7(12)5-8-10-3-4-15-8/h3-4,6H,2,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyXZKVGKWXJAPGCK-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid (CID 110836073) is 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1ncco1)C(=O)O.
What is the InChIKey of 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is XZKVGKWXJAPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-6(9(13)14)11-7(12)5-8-10-3-4-15-8/h3-4,6H,2,5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-oxazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110836073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).