2,3-dihydroxybutanedioic acid;ethane-1,2-diamine

C6H14N2O6 — CID 18387012

IUPAC2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C2H8N2/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);1-4H2
InChIKeyQFJAZXGJBIMYLJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-3.22
Rot. Bonds4

About 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine

2,3-dihydroxybutanedioic acid;ethane-1,2-diamine (PubChem CID 18387012) has the molecular formula C6H14N2O6 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
PubChem CID18387012
Molecular FormulaC6H14N2O6
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C2H8N2/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);1-4H2
InChIKeyQFJAZXGJBIMYLJ-UHFFFAOYSA-N
XLogP-3.22
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.19
LogP ≤ 5-3.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine (CID 18387012) is 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine is NCCN.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The InChIKey is QFJAZXGJBIMYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.C2H8N2/c5-1(3(7)8)2(6)4(9)10;3-1-2-4/h1-2,5-6H,(H,7,8)(H,9,10);1-4H2.
What are the key properties of 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
2,3-dihydroxybutanedioic acid;ethane-1,2-diamine has a molecular weight of 210.19 g/mol, XLogP of -3.22, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;ethane-1,2-diamine is sourced from PubChem (CID 18387012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).