2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid

C6H9N3O3 — CID 43467351

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(NCc1ncon1)C(=O)O
InChIInChI=1S/C6H9N3O3/c1-4(6(10)11)7-2-5-8-3-12-9-5/h3-4,7H,2H2,1H3,(H,10,11)
InChIKeyAYQXKSXSWMBRAR-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.37
Rot. Bonds4

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

2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (PubChem CID 43467351) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
PubChem CID43467351
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(NCc1ncon1)C(=O)O
InChIInChI=1S/C6H9N3O3/c1-4(6(10)11)7-2-5-8-3-12-9-5/h3-4,7H,2H2,1H3,(H,10,11)
InChIKeyAYQXKSXSWMBRAR-UHFFFAOYSA-N
XLogP-0.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
N-(3-methoxypropyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106398768
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
CID 106392652
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (CID 43467351) is 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is CC(NCc1ncon1)C(=O)O.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The InChIKey is AYQXKSXSWMBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4(6(10)11)7-2-5-8-3-12-9-5/h3-4,7H,2H2,1H3,(H,10,11).
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 43467351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).