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

C5H6N4O4 — CID 62687089

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid
SMILESNc1nonc1C(=O)NCC(=O)O
InChIInChI=1S/C5H6N4O4/c6-4-3(8-13-9-4)5(12)7-1-2(10)11/h1H2,(H2,6,9)(H,7,12)(H,10,11)
InChIKeyZLRSDSKEDPRKPR-UHFFFAOYSA-N
MW186.13 g/mol
LogP-1.53
Rot. Bonds3

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid (PubChem CID 62687089) has the molecular formula C5H6N4O4 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid
PubChem CID62687089
Molecular FormulaC5H6N4O4
Molecular Weight186.13 g/mol
Exact Mass186.04
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid
SMILESNc1nonc1C(=O)NCC(=O)O
InChIInChI=1S/C5H6N4O4/c6-4-3(8-13-9-4)5(12)7-1-2(10)11/h1H2,(H2,6,9)(H,7,12)(H,10,11)
InChIKeyZLRSDSKEDPRKPR-UHFFFAOYSA-N
XLogP-1.53
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-1.53
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]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid (CID 62687089) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid is Nc1nonc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid?
The InChIKey is ZLRSDSKEDPRKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O4/c6-4-3(8-13-9-4)5(12)7-1-2(10)11/h1H2,(H2,6,9)(H,7,12)(H,10,11).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]acetic acid has a molecular weight of 186.13 g/mol, XLogP of -1.53, 3 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]acetic acid is sourced from PubChem (CID 62687089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).