2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid

C12H13N3O5 — CID 119225155

IUPAC2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1nc(-c2ccoc2)no1)C(=O)O
InChIInChI=1S/C12H13N3O5/c1-7(12(17)18)13-9(16)2-3-10-14-11(15-20-10)8-4-5-19-6-8/h4-7H,2-3H2,1H3,(H,13,16)(H,17,18)
InChIKeyGPNZCHCBVNITBC-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.85
Rot. Bonds6

About 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid

2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid (PubChem CID 119225155) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
PubChem CID119225155
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1nc(-c2ccoc2)no1)C(=O)O
InChIInChI=1S/C12H13N3O5/c1-7(12(17)18)13-9(16)2-3-10-14-11(15-20-10)8-4-5-19-6-8/h4-7H,2-3H2,1H3,(H,13,16)(H,17,18)
InChIKeyGPNZCHCBVNITBC-UHFFFAOYSA-N
XLogP0.85
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
4-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-phenylbutanoic acid
CID 119201031
N-[(2R)-2-(ethylamino)propyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120652436
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
(2R)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 95773608
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 102602935
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441196

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid?
The IUPAC name of 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid (CID 119225155) is 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid?
The canonical SMILES for 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid is CC(NC(=O)CCc1nc(-c2ccoc2)no1)C(=O)O.
What is the InChIKey of 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid?
The InChIKey is GPNZCHCBVNITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-7(12(17)18)13-9(16)2-3-10-14-11(15-20-10)8-4-5-19-6-8/h4-7H,2-3H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid?
2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid has a molecular weight of 279.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid is sourced from PubChem (CID 119225155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).