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

C13H19N3O4 — CID 119208889

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C13H19N3O4/c1-8(13(18)19)16(2)11(17)5-3-4-10-14-12(15-20-10)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyGBUZOSFJTYOQEJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.20
Rot. Bonds7

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

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid (PubChem CID 119208889) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
PubChem CID119208889
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C13H19N3O4/c1-8(13(18)19)16(2)11(17)5-3-4-10-14-12(15-20-10)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyGBUZOSFJTYOQEJ-UHFFFAOYSA-N
XLogP1.20
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-methylamino]propanoic acid
CID 83834968
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202639
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
CID 167962835
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid (CID 119208889) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCCc1nc(C2CC2)no1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid?
The InChIKey is GBUZOSFJTYOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(13(18)19)16(2)11(17)5-3-4-10-14-12(15-20-10)9-6-7-9/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid is sourced from PubChem (CID 119208889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).