2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid

C8H12N2O8 — CID 87392583

IUPAC2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid
SMILESC=CNC(C(=O)O)C(=O)O.NC(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4.C3H5NO4/c1-2-6-3(4(7)8)5(9)10;4-1(2(5)6)3(7)8/h2-3,6H,1H2,(H,7,8)(H,9,10);1H,4H2,(H,5,6)(H,7,8)
InChIKeyVLWZSWDLBGELRH-UHFFFAOYSA-N
MW264.19 g/mol
LogP-2.26
Rot. Bonds6

About 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid

2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid (PubChem CID 87392583) has the molecular formula C8H12N2O8 and a molecular weight of 264.19 g/mol. Its IUPAC name is 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid.

Molecular Properties

Compound Name2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid
PubChem CID87392583
Molecular FormulaC8H12N2O8
Molecular Weight264.19 g/mol
Exact Mass264.06
IUPAC Name2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid
SMILESC=CNC(C(=O)O)C(=O)O.NC(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO4.C3H5NO4/c1-2-6-3(4(7)8)5(9)10;4-1(2(5)6)3(7)8/h2-3,6H,1H2,(H,7,8)(H,9,10);1H,4H2,(H,5,6)(H,7,8)
InChIKeyVLWZSWDLBGELRH-UHFFFAOYSA-N
XLogP-2.26
TPSA187.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.19
LogP ≤ 5-2.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid?
The IUPAC name of 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid (CID 87392583) is 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid.
What is the SMILES notation for 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid?
The canonical SMILES for 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid is C=CNC(C(=O)O)C(=O)O.NC(C(=O)O)C(=O)O.
What is the InChIKey of 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid?
The InChIKey is VLWZSWDLBGELRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4.C3H5NO4/c1-2-6-3(4(7)8)5(9)10;4-1(2(5)6)3(7)8/h2-3,6H,1H2,(H,7,8)(H,9,10);1H,4H2,(H,5,6)(H,7,8).
What are the key properties of 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid?
2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid has a molecular weight of 264.19 g/mol, XLogP of -2.26, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid is sourced from PubChem (CID 87392583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).