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

C8H12N4O5 — CID 79270084

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C8H12N4O5/c1-16-3-2-12(4-5(13)14)8(15)6-7(9)11-17-10-6/h2-4H2,1H3,(H2,9,11)(H,13,14)
InChIKeySIWWFAZTSWVBKT-UHFFFAOYSA-N
MW244.21 g/mol
LogP-1.17
Rot. Bonds6

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 79270084) has the molecular formula C8H12N4O5 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID79270084
Molecular FormulaC8H12N4O5
Molecular Weight244.21 g/mol
Exact Mass244.08
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C8H12N4O5/c1-16-3-2-12(4-5(13)14)8(15)6-7(9)11-17-10-6/h2-4H2,1H3,(H2,9,11)(H,13,14)
InChIKeySIWWFAZTSWVBKT-UHFFFAOYSA-N
XLogP-1.17
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 79270084) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1nonc1N.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SIWWFAZTSWVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5/c1-16-3-2-12(4-5(13)14)8(15)6-7(9)11-17-10-6/h2-4H2,1H3,(H2,9,11)(H,13,14).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 244.21 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79270084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).