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

C7H10N4O5 — CID 79456585

IUPAC2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid
SMILESNc1nonc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C7H10N4O5/c8-6-5(10-16-11-6)7(14)9-1-2-15-3-4(12)13/h1-3H2,(H2,8,11)(H,9,14)(H,12,13)
InChIKeyFXDCNVAIIMMQSB-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.52
Rot. Bonds6

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

2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79456585) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid
PubChem CID79456585
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid
SMILESNc1nonc1C(=O)NCCOCC(=O)O
InChIInChI=1S/C7H10N4O5/c8-6-5(10-16-11-6)7(14)9-1-2-15-3-4(12)13/h1-3H2,(H2,8,11)(H,9,14)(H,12,13)
InChIKeyFXDCNVAIIMMQSB-UHFFFAOYSA-N
XLogP-1.52
TPSA140.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid (CID 79456585) is 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid is Nc1nonc1C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is FXDCNVAIIMMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c8-6-5(10-16-11-6)7(14)9-1-2-15-3-4(12)13/h1-3H2,(H2,8,11)(H,9,14)(H,12,13).
What are the key properties of 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 230.18 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79456585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).