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

C8H10N4O4 — CID 79264338

IUPAC2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C8H10N4O4/c1-2-3-12(4-5(13)14)8(15)6-7(9)11-16-10-6/h2H,1,3-4H2,(H2,9,11)(H,13,14)
InChIKeyVNAXTQKDYGXJLL-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.64
Rot. Bonds5

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

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid (PubChem CID 79264338) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid
PubChem CID79264338
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)c1nonc1N
InChIInChI=1S/C8H10N4O4/c1-2-3-12(4-5(13)14)8(15)6-7(9)11-16-10-6/h2H,1,3-4H2,(H2,9,11)(H,13,14)
InChIKeyVNAXTQKDYGXJLL-UHFFFAOYSA-N
XLogP-0.64
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
CID 62688558
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79264559
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
2-[prop-2-enyl-(2,4,5-trimethylfuran-3-carbonyl)amino]acetic acid
CID 79265360
2-[prop-2-enoyl(prop-2-enyl)amino]acetic acid
CID 79256407
sodium N-(carboxymethyl)-N-prop-2-enylcarbamate
CID 90169836
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[(3-amino-3-methylbutanoyl)-prop-2-enylamino]acetic acid
CID 79261884
2-[(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79275995

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid (CID 79264338) is 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)c1nonc1N.
What is the InChIKey of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid?
The InChIKey is VNAXTQKDYGXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-2-3-12(4-5(13)14)8(15)6-7(9)11-16-10-6/h2H,1,3-4H2,(H2,9,11)(H,13,14).
What are the key properties of 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid?
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-prop-2-enylamino]acetic acid has a molecular weight of 226.19 g/mol, XLogP of -0.64, 5 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)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).