2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)

C10H24N2O8 — CID 174560140

IUPAC2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
SMILESCOC(C)N.COC(C)N.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.2C3H9NO/c5-1(3(7)8)2(6)4(9)10;2*1-3(4)5-2/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3
InChIKeyDOMFLBBNWYLVFT-UHFFFAOYSA-N
MW300.31 g/mol
LogP-2.25
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)

2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine) (PubChem CID 174560140) has the molecular formula C10H24N2O8 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine).

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
PubChem CID174560140
Molecular FormulaC10H24N2O8
Molecular Weight300.31 g/mol
Exact Mass300.15
IUPAC Name2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
SMILESCOC(C)N.COC(C)N.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.2C3H9NO/c5-1(3(7)8)2(6)4(9)10;2*1-3(4)5-2/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3
InChIKeyDOMFLBBNWYLVFT-UHFFFAOYSA-N
XLogP-2.25
TPSA185.56 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.31
LogP ≤ 5-2.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethanamine;2-oxopropanoic acid
CID 174574648
2-hydroxybutanedioic acid;1-methoxyethanamine
CID 174560192
2-hydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560190
(2R,3R)-3-amino-2-hydroxybutanoic acid
CID 10997015
1-methoxyethanamine
CID 19353429
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
(2R,3S)-3-amino-2-hydroxy-4-methylpentanoic acid
CID 11701056
(3S)-3-amino-2-hydroxy-4-methylpentanoic acid
CID 14503313
(2R,3R,4R,5R)-2,3,5-trihydroxy-4-methoxyhexanoic acid
CID 88571219
2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
CID 88640812
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine) (CID 174560140) is 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine).
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine) is COC(C)N.COC(C)N.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)?
The InChIKey is DOMFLBBNWYLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.2C3H9NO/c5-1(3(7)8)2(6)4(9)10;2*1-3(4)5-2/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3.
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)?
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine) has a molecular weight of 300.31 g/mol, XLogP of -2.25, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine) is sourced from PubChem (CID 174560140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).