(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine

C6H14N2O6 — CID 57365622

IUPAC(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)[C@@H](O)[C@H](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/t1-,2-;/m0./s1
InChIKeyQFJAZXGJBIMYLJ-YGEZSCCGSA-N
MW210.19 g/mol
LogP-3.22
Rot. Bonds4

About (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine

(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine (PubChem CID 57365622) has the molecular formula C6H14N2O6 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
PubChem CID57365622
Molecular FormulaC6H14N2O6
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name(2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)[C@@H](O)[C@H](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/t1-,2-;/m0./s1
InChIKeyQFJAZXGJBIMYLJ-YGEZSCCGSA-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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Related Compounds

bis((2S,3S)-2,3-dihydroxybutanedioic acid);ethane-1,2-diamine
CID 133126863
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
CID 88745910
CID 88745910
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The IUPAC name of (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine (CID 57365622) is (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine.
What is the SMILES notation for (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The canonical SMILES for (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine is NCCN.O=C(O)[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
The InChIKey is QFJAZXGJBIMYLJ-YGEZSCCGSA-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/t1-,2-;/m0./s1.
What are the key properties of (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine?
(2S,3S)-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 (2S,3S)-2,3-dihydroxybutanedioic acid;ethane-1,2-diamine is sourced from PubChem (CID 57365622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).