2-hydroxybutanedioic acid;bis(1-methoxyethanamine)

C10H24N2O7 — CID 174560190

IUPAC2-hydroxybutanedioic acid;bis(1-methoxyethanamine)
SMILESCOC(C)N.COC(C)N.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.2C3H9NO/c5-2(4(8)9)1-3(6)7;2*1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,4H2,1-2H3
InChIKeyDVZGGQRXFQJXND-UHFFFAOYSA-N
MW284.31 g/mol
LogP-1.22
Rot. Bonds5

About 2-hydroxybutanedioic acid;bis(1-methoxyethanamine)

2-hydroxybutanedioic acid;bis(1-methoxyethanamine) (PubChem CID 174560190) has the molecular formula C10H24N2O7 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;bis(1-methoxyethanamine).

Molecular Properties

Compound Name2-hydroxybutanedioic acid;bis(1-methoxyethanamine)
PubChem CID174560190
Molecular FormulaC10H24N2O7
Molecular Weight284.31 g/mol
Exact Mass284.16
IUPAC Name2-hydroxybutanedioic acid;bis(1-methoxyethanamine)
SMILESCOC(C)N.COC(C)N.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.2C3H9NO/c5-2(4(8)9)1-3(6)7;2*1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,4H2,1-2H3
InChIKeyDVZGGQRXFQJXND-UHFFFAOYSA-N
XLogP-1.22
TPSA165.33 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybutanedioic acid;1-methoxyethanamine
CID 174560192
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
2-aminobutanedioic acid;2-hydroxybutanedioic acid
CID 87166699
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
3,6-diamino-4,5-dihydroxyoctanedioic acid;bis(2-hydroxybutanedioic acid)
CID 11540651
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;bis(1-methoxyethanamine)?
The IUPAC name of 2-hydroxybutanedioic acid;bis(1-methoxyethanamine) (CID 174560190) is 2-hydroxybutanedioic acid;bis(1-methoxyethanamine).
What is the SMILES notation for 2-hydroxybutanedioic acid;bis(1-methoxyethanamine)?
The canonical SMILES for 2-hydroxybutanedioic acid;bis(1-methoxyethanamine) is COC(C)N.COC(C)N.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;bis(1-methoxyethanamine)?
The InChIKey is DVZGGQRXFQJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.2C3H9NO/c5-2(4(8)9)1-3(6)7;2*1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);2*3H,4H2,1-2H3.
What are the key properties of 2-hydroxybutanedioic acid;bis(1-methoxyethanamine)?
2-hydroxybutanedioic acid;bis(1-methoxyethanamine) has a molecular weight of 284.31 g/mol, XLogP of -1.22, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;bis(1-methoxyethanamine) is sourced from PubChem (CID 174560190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).