2-amino-3-(1,3-oxazol-2-yl)propanoic acid

C6H8N2O3 — CID 45082164

IUPAC2-amino-3-(1,3-oxazol-2-yl)propanoic acid
SMILESNC(Cc1ncco1)C(=O)O
InChIInChI=1S/C6H8N2O3/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
InChIKeyOEOQATMYGZKBEN-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.37
Rot. Bonds3

About 2-amino-3-(1,3-oxazol-2-yl)propanoic acid

2-amino-3-(1,3-oxazol-2-yl)propanoic acid (PubChem CID 45082164) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-amino-3-(1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,3-oxazol-2-yl)propanoic acid
PubChem CID45082164
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-amino-3-(1,3-oxazol-2-yl)propanoic acid
SMILESNC(Cc1ncco1)C(=O)O
InChIInChI=1S/C6H8N2O3/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
InChIKeyOEOQATMYGZKBEN-UHFFFAOYSA-N
XLogP-0.37
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,3-oxazol-2-yl)propanoic acid (CID 45082164) is 2-amino-3-(1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,3-oxazol-2-yl)propanoic acid is NC(Cc1ncco1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,3-oxazol-2-yl)propanoic acid?
The InChIKey is OEOQATMYGZKBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10).
What are the key properties of 2-amino-3-(1,3-oxazol-2-yl)propanoic acid?
2-amino-3-(1,3-oxazol-2-yl)propanoic acid has a molecular weight of 156.14 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 45082164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).