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

C7H10N4O4 — CID 62687460

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O4/c1-2-3(7(13)14)9-6(12)4-5(8)11-15-10-4/h3H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyUTXPOJSUZJOWSY-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.76
Rot. Bonds4

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid (PubChem CID 62687460) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid
PubChem CID62687460
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C7H10N4O4/c1-2-3(7(13)14)9-6(12)4-5(8)11-15-10-4/h3H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14)
InChIKeyUTXPOJSUZJOWSY-UHFFFAOYSA-N
XLogP-0.76
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid (CID 62687460) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid?
The InChIKey is UTXPOJSUZJOWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-3(7(13)14)9-6(12)4-5(8)11-15-10-4/h3H,2H2,1H3,(H2,8,11)(H,9,12)(H,13,14).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid has a molecular weight of 214.18 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62687460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).