2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid

C15H23N3O4 — CID 119192796

IUPAC2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C15H23N3O4/c1-10(2)8-18(9-14(20)21)13(19)5-3-4-12-16-15(17-22-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyRPPXVEPJMNPLRD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.84
Rot. Bonds9

About 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 119192796) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID119192796
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C15H23N3O4/c1-10(2)8-18(9-14(20)21)13(19)5-3-4-12-16-15(17-22-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,20,21)
InChIKeyRPPXVEPJMNPLRD-UHFFFAOYSA-N
XLogP1.84
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
CID 119205867
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
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
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
CID 167962835
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid (CID 119192796) is 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCc1nc(C2CC2)no1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is RPPXVEPJMNPLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(2)8-18(9-14(20)21)13(19)5-3-4-12-16-15(17-22-12)11-6-7-11/h10-11H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid?
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 1.84, 9 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-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).