2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol

C7H15NO7 — CID 173051397

IUPAC2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol
SMILESCNCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C3H9NO/c5-1(3(7)8)2(6)4(9)10;1-4-2-3-5/h1-2,5-6H,(H,7,8)(H,9,10);4-5H,2-3H2,1H3
InChIKeyDGERBLPBGXNYNW-UHFFFAOYSA-N
MW225.20 g/mol
LogP-2.92
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol

2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol (PubChem CID 173051397) has the molecular formula C7H15NO7 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol
PubChem CID173051397
Molecular FormulaC7H15NO7
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol
SMILESCNCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C3H9NO/c5-1(3(7)8)2(6)4(9)10;1-4-2-3-5/h1-2,5-6H,(H,7,8)(H,9,10);4-5H,2-3H2,1H3
InChIKeyDGERBLPBGXNYNW-UHFFFAOYSA-N
XLogP-2.92
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.20
LogP ≤ 5-2.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol (CID 173051397) is 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol is CNCCO.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol?
The InChIKey is DGERBLPBGXNYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.C3H9NO/c5-1(3(7)8)2(6)4(9)10;1-4-2-3-5/h1-2,5-6H,(H,7,8)(H,9,10);4-5H,2-3H2,1H3.
What are the key properties of 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol?
2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol has a molecular weight of 225.20 g/mol, XLogP of -2.92, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;2-(methylamino)ethanol is sourced from PubChem (CID 173051397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).