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

C15H15N3O4 — CID 120519187

IUPAC2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(-c2ncon2)cc1)C1CC1
InChIInChI=1S/C15H15N3O4/c1-9(15(20)21)18(12-6-7-12)14(19)11-4-2-10(3-5-11)13-16-8-22-17-13/h2-5,8-9,12H,6-7H2,1H3,(H,20,21)
InChIKeyQZTPDPZGTFWXEO-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.81
Rot. Bonds5

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

2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid (PubChem CID 120519187) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid
PubChem CID120519187
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(-c2ncon2)cc1)C1CC1
InChIInChI=1S/C15H15N3O4/c1-9(15(20)21)18(12-6-7-12)14(19)11-4-2-10(3-5-11)13-16-8-22-17-13/h2-5,8-9,12H,6-7H2,1H3,(H,20,21)
InChIKeyQZTPDPZGTFWXEO-UHFFFAOYSA-N
XLogP1.81
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119202685
2-[cyclopropyl-[4-[(ethylsulfonylamino)methyl]benzoyl]amino]propanoic acid
CID 119203043
2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257
2-[cyclopropyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 122067342
2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 120519348
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111426410
tert-butyl 5-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]-4,5,6,7-tetrahydroindazole-2-carboxylate
CID 90379245
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid (CID 120519187) is 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccc(-c2ncon2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid?
The InChIKey is QZTPDPZGTFWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9(15(20)21)18(12-6-7-12)14(19)11-4-2-10(3-5-11)13-16-8-22-17-13/h2-5,8-9,12H,6-7H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid has a molecular weight of 301.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 120519187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).