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

C6H8N4O4 — CID 62687453

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C6H8N4O4/c1-10(2-3(11)12)6(13)4-5(7)9-14-8-4/h2H2,1H3,(H2,7,9)(H,11,12)
InChIKeyKZHWYIDRJULRSY-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.19
Rot. Bonds3

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid (PubChem CID 62687453) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid
PubChem CID62687453
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C6H8N4O4/c1-10(2-3(11)12)6(13)4-5(7)9-14-8-4/h2H2,1H3,(H2,7,9)(H,11,12)
InChIKeyKZHWYIDRJULRSY-UHFFFAOYSA-N
XLogP-1.19
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
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)-methylamino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid (CID 62687453) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1nonc1N.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is KZHWYIDRJULRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-10(2-3(11)12)6(13)4-5(7)9-14-8-4/h2H2,1H3,(H2,7,9)(H,11,12).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 200.15 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 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)-methylamino]acetic acid is sourced from PubChem (CID 62687453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).