3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid

C10H16N4O4 — CID 62685999

IUPAC3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C10H16N4O4/c1-10(2,3)14(5-4-6(15)16)9(17)7-8(11)13-18-12-7/h4-5H2,1-3H3,(H2,11,13)(H,15,16)
InChIKeyISBHXGLAMIPJSK-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.37
Rot. Bonds4

About 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid

3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid (PubChem CID 62685999) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid
PubChem CID62685999
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C10H16N4O4/c1-10(2,3)14(5-4-6(15)16)9(17)7-8(11)13-18-12-7/h4-5H2,1-3H3,(H2,11,13)(H,15,16)
InChIKeyISBHXGLAMIPJSK-UHFFFAOYSA-N
XLogP0.37
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]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-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817588
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
CID 62688558
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60827139
methyl 4-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]butanoate
CID 62686347
3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
CID 62788263
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
CID 62687260
3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206032
4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314
3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
CID 54926288
4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106292040

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid?
The IUPAC name of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid (CID 62685999) is 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid.
What is the SMILES notation for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid?
The canonical SMILES for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)c1nonc1N.
What is the InChIKey of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid?
The InChIKey is ISBHXGLAMIPJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,3)14(5-4-6(15)16)9(17)7-8(11)13-18-12-7/h4-5H2,1-3H3,(H2,11,13)(H,15,16).
What are the key properties of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid?
3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid is sourced from PubChem (CID 62685999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).