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

C13H14N4O4 — CID 119369964

IUPAC(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(=O)O
InChIInChI=1S/C13H14N4O4/c1-8(13(19)20)15-10(18)2-3-11-16-12(17-21-11)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,15,18)(H,19,20)/t8-/m1/s1
InChIKeyGJFJLHNFKIAADT-MRVPVSSYSA-N
MW290.28 g/mol
LogP0.65
Rot. Bonds6

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

(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (PubChem CID 119369964) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
PubChem CID119369964
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
SMILESC[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(=O)O
InChIInChI=1S/C13H14N4O4/c1-8(13(19)20)15-10(18)2-3-11-16-12(17-21-11)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,15,18)(H,19,20)/t8-/m1/s1
InChIKeyGJFJLHNFKIAADT-MRVPVSSYSA-N
XLogP0.65
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
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N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
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CID 55498576
N-(4-methyl-4-phenylpentan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47080751
(2S)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanoic acid
CID 119238162
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251222
N-[1-(2,4-dichlorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46508453
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251228
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid (CID 119369964) is (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
The InChIKey is GJFJLHNFKIAADT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8(13(19)20)15-10(18)2-3-11-16-12(17-21-11)9-4-6-14-7-5-9/h4-8H,2-3H2,1H3,(H,15,18)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid?
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid has a molecular weight of 290.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 119369964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).