2-[(2-azaniumylacetyl)amino]prop-2-enoate

C5H8N2O3 — CID 36691174

IUPAC2-[(2-azaniumylacetyl)amino]prop-2-enoate
SMILESC=C(NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C5H8N2O3/c1-3(5(9)10)7-4(8)2-6/h1-2,6H2,(H,7,8)(H,9,10)
InChIKeyHJIIFWYYFJPTGK-UHFFFAOYSA-N
MW144.13 g/mol
LogP-3.39
Rot. Bonds3

About 2-[(2-azaniumylacetyl)amino]prop-2-enoate

2-[(2-azaniumylacetyl)amino]prop-2-enoate (PubChem CID 36691174) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-[(2-azaniumylacetyl)amino]prop-2-enoate.

Molecular Properties

Compound Name2-[(2-azaniumylacetyl)amino]prop-2-enoate
PubChem CID36691174
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-[(2-azaniumylacetyl)amino]prop-2-enoate
SMILESC=C(NC(=O)C[NH3+])C(=O)[O-]
InChIInChI=1S/C5H8N2O3/c1-3(5(9)10)7-4(8)2-6/h1-2,6H2,(H,7,8)(H,9,10)
InChIKeyHJIIFWYYFJPTGK-UHFFFAOYSA-N
XLogP-3.39
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-3.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
CID 139058986
2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 139198513
2-methylidenebutanedioate;bis(rubidium(1+))
CID 18408060
bis(2-azaniumylacetate);hydroxyazanium;chloride
CID 139206260
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate
CID 139164831
diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
ethylazanium;[2-(methylamino)-2-oxoethyl]azanium;dichloride
CID 161353127
aluminum;calcium;oxalate
CID 172855033
2-methylprop-2-enoate
CID 19005746
2-methylidenebutanedioate phosphate
CID 19373893
2-[2-[(2-azaniumylacetyl)amino]propanoylamino]acetate
CID 23278182

Frequently Asked Questions

What is the IUPAC name of 2-[(2-azaniumylacetyl)amino]prop-2-enoate?
The IUPAC name of 2-[(2-azaniumylacetyl)amino]prop-2-enoate (CID 36691174) is 2-[(2-azaniumylacetyl)amino]prop-2-enoate.
What is the SMILES notation for 2-[(2-azaniumylacetyl)amino]prop-2-enoate?
The canonical SMILES for 2-[(2-azaniumylacetyl)amino]prop-2-enoate is C=C(NC(=O)C[NH3+])C(=O)[O-].
What is the InChIKey of 2-[(2-azaniumylacetyl)amino]prop-2-enoate?
The InChIKey is HJIIFWYYFJPTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(5(9)10)7-4(8)2-6/h1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-[(2-azaniumylacetyl)amino]prop-2-enoate?
2-[(2-azaniumylacetyl)amino]prop-2-enoate has a molecular weight of 144.13 g/mol, XLogP of -3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-azaniumylacetyl)amino]prop-2-enoate is sourced from PubChem (CID 36691174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).