2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate

C6H14N2O6 — CID 139054543

IUPAC2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate
SMILESNCC[NH3+].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-5.27
Rot. Bonds4

About 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate

2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate (PubChem CID 139054543) has the molecular formula C6H14N2O6 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate.

Molecular Properties

Compound Name2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate
PubChem CID139054543
Molecular FormulaC6H14N2O6
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate
SMILESNCC[NH3+].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-5.27
TPSA171.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-5.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate?
The IUPAC name of 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate (CID 139054543) is 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate.
What is the SMILES notation for 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate?
The canonical SMILES for 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate is NCC[NH3+].O=C([O-])[C@@H](O)[C@H](O)C(=O)O.
What is the InChIKey of 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate?
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 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate?
2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate has a molecular weight of 210.19 g/mol, XLogP of -5.27, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylazanium;(2S,3S)-2,3,4-trihydroxy-4-oxobutanoate is sourced from PubChem (CID 139054543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).