2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid

C14H13N3O4 — CID 62697061

IUPAC2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C14H13N3O4/c18-12(16-11(14(19)20)8-1-2-8)9-3-5-10(6-4-9)13-17-15-7-21-13/h3-8,11H,1-2H2,(H,16,18)(H,19,20)
InChIKeyOKQXYBSSENTLOK-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.33
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid

2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid (PubChem CID 62697061) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
PubChem CID62697061
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C14H13N3O4/c18-12(16-11(14(19)20)8-1-2-8)9-3-5-10(6-4-9)13-17-15-7-21-13/h3-8,11H,1-2H2,(H,16,18)(H,19,20)
InChIKeyOKQXYBSSENTLOK-UHFFFAOYSA-N
XLogP1.33
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid (CID 62697061) is 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid?
The InChIKey is OKQXYBSSENTLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12(16-11(14(19)20)8-1-2-8)9-3-5-10(6-4-9)13-17-15-7-21-13/h3-8,11H,1-2H2,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 62697061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).