2-hydroxybutanedioic acid;1-methoxyethanamine

C7H15NO6 — CID 174560192

IUPAC2-hydroxybutanedioic acid;1-methoxyethanamine
SMILESCOC(C)N.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C3H9NO/c5-2(4(8)9)1-3(6)7;1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);3H,4H2,1-2H3
InChIKeyQDMKYLRBFSXHAS-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.16
Rot. Bonds4

About 2-hydroxybutanedioic acid;1-methoxyethanamine

2-hydroxybutanedioic acid;1-methoxyethanamine (PubChem CID 174560192) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;1-methoxyethanamine.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;1-methoxyethanamine
PubChem CID174560192
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name2-hydroxybutanedioic acid;1-methoxyethanamine
SMILESCOC(C)N.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C4H6O5.C3H9NO/c5-2(4(8)9)1-3(6)7;1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);3H,4H2,1-2H3
InChIKeyQDMKYLRBFSXHAS-UHFFFAOYSA-N
XLogP-1.16
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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;bis(1-methoxyethanamine)
CID 174560190
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
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;1-methoxyethanamine?
The IUPAC name of 2-hydroxybutanedioic acid;1-methoxyethanamine (CID 174560192) is 2-hydroxybutanedioic acid;1-methoxyethanamine.
What is the SMILES notation for 2-hydroxybutanedioic acid;1-methoxyethanamine?
The canonical SMILES for 2-hydroxybutanedioic acid;1-methoxyethanamine is COC(C)N.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;1-methoxyethanamine?
The InChIKey is QDMKYLRBFSXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.C3H9NO/c5-2(4(8)9)1-3(6)7;1-3(4)5-2/h2,5H,1H2,(H,6,7)(H,8,9);3H,4H2,1-2H3.
What are the key properties of 2-hydroxybutanedioic acid;1-methoxyethanamine?
2-hydroxybutanedioic acid;1-methoxyethanamine has a molecular weight of 209.20 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;1-methoxyethanamine is sourced from PubChem (CID 174560192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).