2-amino-2-ethenylpropanedioic acid

C5H7NO4 — CID 55285950

IUPAC2-amino-2-ethenylpropanedioic acid
SMILESC=CC(N)(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-5(6,3(7)8)4(9)10/h2H,1,6H2,(H,7,8)(H,9,10)
InChIKeyJIOQESCINJGNET-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.96
Rot. Bonds3

About 2-amino-2-ethenylpropanedioic acid

2-amino-2-ethenylpropanedioic acid (PubChem CID 55285950) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-amino-2-ethenylpropanedioic acid.

Molecular Properties

Compound Name2-amino-2-ethenylpropanedioic acid
PubChem CID55285950
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name2-amino-2-ethenylpropanedioic acid
SMILESC=CC(N)(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4/c1-2-5(6,3(7)8)4(9)10/h2H,1,6H2,(H,7,8)(H,9,10)
InChIKeyJIOQESCINJGNET-UHFFFAOYSA-N
XLogP-0.96
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethenylpropanedioic acid?
The IUPAC name of 2-amino-2-ethenylpropanedioic acid (CID 55285950) is 2-amino-2-ethenylpropanedioic acid.
What is the SMILES notation for 2-amino-2-ethenylpropanedioic acid?
The canonical SMILES for 2-amino-2-ethenylpropanedioic acid is C=CC(N)(C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-2-ethenylpropanedioic acid?
The InChIKey is JIOQESCINJGNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-2-5(6,3(7)8)4(9)10/h2H,1,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-amino-2-ethenylpropanedioic acid?
2-amino-2-ethenylpropanedioic acid has a molecular weight of 145.11 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethenylpropanedioic acid is sourced from PubChem (CID 55285950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).