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

C7H10N4O5 — CID 106108999

IUPAC3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O5/c1-15-3(7(13)14)2-9-6(12)4-5(8)11-16-10-4/h3H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyIRWTXJABPQGZQN-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.52
Rot. Bonds5

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

3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106108999) 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-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106108999
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O5/c1-15-3(7(13)14)2-9-6(12)4-5(8)11-16-10-4/h3H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyIRWTXJABPQGZQN-UHFFFAOYSA-N
XLogP-1.52
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic 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-methoxypropanoic acid?
The IUPAC name of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid (CID 106108999) is 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is IRWTXJABPQGZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c1-15-3(7(13)14)2-9-6(12)4-5(8)11-16-10-4/h3H,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-methoxypropanoic acid?
3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 230.18 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 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-methoxypropanoic acid is sourced from PubChem (CID 106108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).