azane;2-(1,2-dicarboxyethylamino)butanedioic acid

C8H20N4O8 — CID 170854379

IUPACazane;2-(1,2-dicarboxyethylamino)butanedioic acid
SMILESN.N.N.O=C(O)CC(NC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H11NO8.3H3N/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);3*1H3
InChIKeyUVHKAZCMMQAJAD-UHFFFAOYSA-N
MW300.27 g/mol
LogP-1.08
Rot. Bonds8

About azane;2-(1,2-dicarboxyethylamino)butanedioic acid

azane;2-(1,2-dicarboxyethylamino)butanedioic acid (PubChem CID 170854379) has the molecular formula C8H20N4O8 and a molecular weight of 300.27 g/mol. Its IUPAC name is azane;2-(1,2-dicarboxyethylamino)butanedioic acid.

Molecular Properties

Compound Nameazane;2-(1,2-dicarboxyethylamino)butanedioic acid
PubChem CID170854379
Molecular FormulaC8H20N4O8
Molecular Weight300.27 g/mol
Exact Mass300.13
IUPAC Nameazane;2-(1,2-dicarboxyethylamino)butanedioic acid
SMILESN.N.N.O=C(O)CC(NC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H11NO8.3H3N/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);3*1H3
InChIKeyUVHKAZCMMQAJAD-UHFFFAOYSA-N
XLogP-1.08
TPSA266.23 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azane;2-(1,2-dicarboxyethylamino)butanedioic acid?
The IUPAC name of azane;2-(1,2-dicarboxyethylamino)butanedioic acid (CID 170854379) is azane;2-(1,2-dicarboxyethylamino)butanedioic acid.
What is the SMILES notation for azane;2-(1,2-dicarboxyethylamino)butanedioic acid?
The canonical SMILES for azane;2-(1,2-dicarboxyethylamino)butanedioic acid is N.N.N.O=C(O)CC(NC(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of azane;2-(1,2-dicarboxyethylamino)butanedioic acid?
The InChIKey is UVHKAZCMMQAJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO8.3H3N/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);3*1H3.
What are the key properties of azane;2-(1,2-dicarboxyethylamino)butanedioic acid?
azane;2-(1,2-dicarboxyethylamino)butanedioic acid has a molecular weight of 300.27 g/mol, XLogP of -1.08, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(1,2-dicarboxyethylamino)butanedioic acid is sourced from PubChem (CID 170854379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).