2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene

C10H15NO9 — CID 154983265

IUPAC2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene
SMILESC=C.O=C(O)CC(C(=O)O)N(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO9.C2H4/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;1-2/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);1-2H2
InChIKeyYPURZKFFGJFWMD-UHFFFAOYSA-N
MW293.23 g/mol
LogP-0.66
Rot. Bonds8

About 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene

2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene (PubChem CID 154983265) has the molecular formula C10H15NO9 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene.

Molecular Properties

Compound Name2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene
PubChem CID154983265
Molecular FormulaC10H15NO9
Molecular Weight293.23 g/mol
Exact Mass293.07
IUPAC Name2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene
SMILESC=C.O=C(O)CC(C(=O)O)N(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO9.C2H4/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;1-2/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);1-2H2
InChIKeyYPURZKFFGJFWMD-UHFFFAOYSA-N
XLogP-0.66
TPSA172.67 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene?
The IUPAC name of 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene (CID 154983265) is 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene.
What is the SMILES notation for 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene?
The canonical SMILES for 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene is C=C.O=C(O)CC(C(=O)O)N(O)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene?
The InChIKey is YPURZKFFGJFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO9.C2H4/c10-5(11)1-3(7(14)15)9(18)4(8(16)17)2-6(12)13;1-2/h3-4,18H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);1-2H2.
What are the key properties of 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene?
2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene has a molecular weight of 293.23 g/mol, XLogP of -0.66, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dicarboxyethyl(hydroxy)amino]butanedioic acid;ethene is sourced from PubChem (CID 154983265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).