2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid

C5H7N3O3 — CID 82651982

IUPAC2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
SMILESNC(Cc1ncon1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10)
InChIKeyAJJVTENVLDKYQM-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.98
Rot. Bonds3

About 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid

2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid (PubChem CID 82651982) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
PubChem CID82651982
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid
SMILESNC(Cc1ncon1)C(=O)O
InChIInChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10)
InChIKeyAJJVTENVLDKYQM-UHFFFAOYSA-N
XLogP-0.98
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid (CID 82651982) is 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid is NC(Cc1ncon1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
The InChIKey is AJJVTENVLDKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-3(5(9)10)1-4-7-2-11-8-4/h2-3H,1,6H2,(H,9,10).
What are the key properties of 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid?
2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,4-oxadiazol-3-yl)propanoic acid is sourced from PubChem (CID 82651982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).