2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine

C10H21NO7 — CID 87299437

IUPAC2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H15NO2.C4H6O5/c1-8-5-3-7-4-6-9-2;5-2(4(8)9)1-3(6)7/h7H,3-6H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyWRORYEVIGQEQRL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.22
Rot. Bonds9

About 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine

2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 87299437) has the molecular formula C10H21NO7 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID87299437
Molecular FormulaC10H21NO7
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H15NO2.C4H6O5/c1-8-5-3-7-4-6-9-2;5-2(4(8)9)1-3(6)7/h7H,3-6H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyWRORYEVIGQEQRL-UHFFFAOYSA-N
XLogP-1.22
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine (CID 87299437) is 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine is COCCNCCOC.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is WRORYEVIGQEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C4H6O5/c1-8-5-3-7-4-6-9-2;5-2(4(8)9)1-3(6)7/h7H,3-6H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 267.28 g/mol, XLogP of -1.22, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 87299437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).