2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid

C13H21N3O4 — CID 119223527

IUPAC2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
SMILESCCCc1noc(CCCC(=O)NC(CC)C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-3-6-10-15-12(20-16-10)8-5-7-11(17)14-9(4-2)13(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBXIGBHUMEIRNFL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.32
Rot. Bonds9

About 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid

2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid (PubChem CID 119223527) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
PubChem CID119223527
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
SMILESCCCc1noc(CCCC(=O)NC(CC)C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-3-6-10-15-12(20-16-10)8-5-7-11(17)14-9(4-2)13(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyBXIGBHUMEIRNFL-UHFFFAOYSA-N
XLogP1.32
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic 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-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
N-(1-amino-4-methylpentan-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119588243
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55824272
N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
methyl 3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 43623424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid?
The IUPAC name of 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid (CID 119223527) is 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid.
What is the SMILES notation for 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid?
The canonical SMILES for 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid is CCCc1noc(CCCC(=O)NC(CC)C(=O)O)n1.
What is the InChIKey of 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid?
The InChIKey is BXIGBHUMEIRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-6-10-15-12(20-16-10)8-5-7-11(17)14-9(4-2)13(18)19/h9H,3-8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid?
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid is sourced from PubChem (CID 119223527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).