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

C16H25N3O4 — CID 119190122

IUPAC3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C16H25N3O4/c1-11(2)10-19(9-8-15(21)22)14(20)5-3-4-13-17-16(18-23-13)12-6-7-12/h11-12H,3-10H2,1-2H3,(H,21,22)
InChIKeyGMZKJTSFHHAMII-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.23
Rot. Bonds10

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

3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190122) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
PubChem CID119190122
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)CCCc1nc(C2CC2)no1
InChIInChI=1S/C16H25N3O4/c1-11(2)10-19(9-8-15(21)22)14(20)5-3-4-13-17-16(18-23-13)12-6-7-12/h11-12H,3-10H2,1-2H3,(H,21,22)
InChIKeyGMZKJTSFHHAMII-UHFFFAOYSA-N
XLogP2.23
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
CID 167962835

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid (CID 119190122) is 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)CCCc1nc(C2CC2)no1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid?
The InChIKey is GMZKJTSFHHAMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11(2)10-19(9-8-15(21)22)14(20)5-3-4-13-17-16(18-23-13)12-6-7-12/h11-12H,3-10H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid?
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).