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

C6H8N4O4 — CID 62686746

IUPAC(2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m1/s1
InChIKeyIUTKSVFBYPFPDT-UWTATZPHSA-N
MW200.15 g/mol
LogP-1.15
Rot. Bonds3

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

(2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (PubChem CID 62686746) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
PubChem CID62686746
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1nonc1N)C(=O)O
InChIInChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m1/s1
InChIKeyIUTKSVFBYPFPDT-UWTATZPHSA-N
XLogP-1.15
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid (CID 62686746) is (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1nonc1N)C(=O)O.
What is the InChIKey of (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
The InChIKey is IUTKSVFBYPFPDT-UWTATZPHSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-2(6(12)13)8-5(11)3-4(7)10-14-9-3/h2H,1H3,(H2,7,10)(H,8,11)(H,12,13)/t2-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid?
(2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid has a molecular weight of 200.15 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62686746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).