3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C7H10N4O5 — CID 66176610

IUPAC3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O5/c1-7(15,6(13)14)2-9-5(12)3-4(8)11-16-10-3/h15H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyBDCVKWMBQKPHSH-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.78
Rot. Bonds4

About 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176610) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176610
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O5/c1-7(15,6(13)14)2-9-5(12)3-4(8)11-16-10-3/h15H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyBDCVKWMBQKPHSH-UHFFFAOYSA-N
XLogP-1.78
TPSA151.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic 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-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66176610) is 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is BDCVKWMBQKPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c1-7(15,6(13)14)2-9-5(12)3-4(8)11-16-10-3/h15H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14).
What are the key properties of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 230.18 g/mol, XLogP of -1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).