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

C7H10N4O4 — CID 62688558

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)7(14)5-6(8)10-15-9-5/h2-3H2,1H3,(H2,8,10)(H,12,13)
InChIKeyIWTPEKAAFQUJOM-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.80
Rot. Bonds4

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid (PubChem CID 62688558) 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)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
PubChem CID62688558
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)7(14)5-6(8)10-15-9-5/h2-3H2,1H3,(H2,8,10)(H,12,13)
InChIKeyIWTPEKAAFQUJOM-UHFFFAOYSA-N
XLogP-0.80
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.80
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)-ethylamino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid (CID 62688558) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1nonc1N.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid?
The InChIKey is IWTPEKAAFQUJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-11(3-4(12)13)7(14)5-6(8)10-15-9-5/h2-3H2,1H3,(H2,8,10)(H,12,13).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -0.80, 4 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)-ethylamino]acetic acid is sourced from PubChem (CID 62688558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).