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

C15H21N3O4 — CID 119202492

IUPAC2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCCc1nc(C2CC2)no1)C1CC1
InChIInChI=1S/C15H21N3O4/c1-9(15(20)21)18(11-7-8-11)13(19)4-2-3-12-16-14(17-22-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,20,21)
InChIKeyAHUCTZWYKRODFN-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.73
Rot. Bonds8

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

2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (PubChem CID 119202492) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
PubChem CID119202492
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCCc1nc(C2CC2)no1)C1CC1
InChIInChI=1S/C15H21N3O4/c1-9(15(20)21)18(11-7-8-11)13(19)4-2-3-12-16-14(17-22-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,20,21)
InChIKeyAHUCTZWYKRODFN-UHFFFAOYSA-N
XLogP1.73
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
2-[cyclopropyl-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202639
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
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
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-methylamino]propanoic acid
CID 83834968
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-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (CID 119202492) is 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCCc1nc(C2CC2)no1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The InChIKey is AHUCTZWYKRODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(15(20)21)18(11-7-8-11)13(19)4-2-3-12-16-14(17-22-12)10-5-6-10/h9-11H,2-8H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).