methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

C5H11NO6 — CID 139045346

IUPACmethylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESC[NH3+].O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.CH5N/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);2H2,1H3/t1-,2-;/m1./s1
InChIKeyDULPRFBKVYBMDM-ZVGUSBNCSA-N
MW181.14 g/mol
LogP-4.60
Rot. Bonds3

About methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate (PubChem CID 139045346) has the molecular formula C5H11NO6 and a molecular weight of 181.14 g/mol. Its IUPAC name is methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate.

Molecular Properties

Compound Namemethylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
PubChem CID139045346
Molecular FormulaC5H11NO6
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Namemethylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESC[NH3+].O=C([O-])[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6.CH5N/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);2H2,1H3/t1-,2-;/m1./s1
InChIKeyDULPRFBKVYBMDM-ZVGUSBNCSA-N
XLogP-4.60
TPSA145.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 5-4.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
CID 6378487
CID 6378487
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
2,3-dihydroxybutanedioate
CID 19608871
sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
CID 139301413
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285

Frequently Asked Questions

What is the IUPAC name of methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The IUPAC name of methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate (CID 139045346) is methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate.
What is the SMILES notation for methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The canonical SMILES for methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate is C[NH3+].O=C([O-])[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The InChIKey is DULPRFBKVYBMDM-ZVGUSBNCSA-N. The full InChI is InChI=1S/C4H6O6.CH5N/c5-1(3(7)8)2(6)4(9)10;1-2/h1-2,5-6H,(H,7,8)(H,9,10);2H2,1H3/t1-,2-;/m1./s1.
What are the key properties of methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate has a molecular weight of 181.14 g/mol, XLogP of -4.60, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate is sourced from PubChem (CID 139045346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).