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

C10H11N3O4 — CID 83193795

IUPAC(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
SMILESC[C@H](NCc1noc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C10H11N3O4/c1-6(10(14)15)11-5-8-12-9(17-13-8)7-3-2-4-16-7/h2-4,6,11H,5H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyHNBOBPYVZJOMNA-LURJTMIESA-N
MW237.22 g/mol
LogP0.89
Rot. Bonds5

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

(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid (PubChem CID 83193795) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
PubChem CID83193795
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
SMILESC[C@H](NCc1noc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C10H11N3O4/c1-6(10(14)15)11-5-8-12-9(17-13-8)7-3-2-4-16-7/h2-4,6,11H,5H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyHNBOBPYVZJOMNA-LURJTMIESA-N
XLogP0.89
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid?
The IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid (CID 83193795) is (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid is C[C@H](NCc1noc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid?
The InChIKey is HNBOBPYVZJOMNA-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O4/c1-6(10(14)15)11-5-8-12-9(17-13-8)7-3-2-4-16-7/h2-4,6,11H,5H2,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid?
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid has a molecular weight of 237.22 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid is sourced from PubChem (CID 83193795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).