3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

C12H18N4O5 — CID 102742366

IUPAC3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCC(O)(CNC(=O)c1noc(C2CCCN2)n1)CC(=O)O
InChIInChI=1S/C12H18N4O5/c1-12(20,5-8(17)18)6-14-10(19)9-15-11(21-16-9)7-3-2-4-13-7/h7,13,20H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyWHIXBYUUFGZGFF-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.55
Rot. Bonds6

About 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid

3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 102742366) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID102742366
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCC(O)(CNC(=O)c1noc(C2CCCN2)n1)CC(=O)O
InChIInChI=1S/C12H18N4O5/c1-12(20,5-8(17)18)6-14-10(19)9-15-11(21-16-9)7-3-2-4-13-7/h7,13,20H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyWHIXBYUUFGZGFF-UHFFFAOYSA-N
XLogP-0.55
TPSA137.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid (CID 102742366) is 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is CC(O)(CNC(=O)c1noc(C2CCCN2)n1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is WHIXBYUUFGZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c1-12(20,5-8(17)18)6-14-10(19)9-15-11(21-16-9)7-3-2-4-13-7/h7,13,20H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid?
3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 298.30 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102742366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).