2-(dimethylamino)ethanol;oxalic acid

C6H13NO5 — CID 11693995

IUPAC2-(dimethylamino)ethanol;oxalic acid
SMILESCN(C)CCO.O=C(O)C(=O)O
InChIInChI=1S/C4H11NO.C2H2O4/c1-5(2)3-4-6;3-1(4)2(5)6/h6H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNZIJDPENVQDFR-UHFFFAOYSA-N
MW179.17 g/mol
LogP-1.30
Rot. Bonds2

About 2-(dimethylamino)ethanol;oxalic acid

2-(dimethylamino)ethanol;oxalic acid (PubChem CID 11693995) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;oxalic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;oxalic acid
PubChem CID11693995
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(dimethylamino)ethanol;oxalic acid
SMILESCN(C)CCO.O=C(O)C(=O)O
InChIInChI=1S/C4H11NO.C2H2O4/c1-5(2)3-4-6;3-1(4)2(5)6/h6H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyGNZIJDPENVQDFR-UHFFFAOYSA-N
XLogP-1.30
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propanoic acid, 2-hydroxy-, compd. with 2-(dimethylamino)ethanol (1:1)
CID 171536
Acetic acid, 2-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 176386
Choline lactate
CID 10313496
Hydroxy-methyl methylglycine
CID 15678438
Hydroxybetaine
CID 10197714
Choline oxalate
CID 25207812
Choline-glycolate
CID 57370633
2-Hydroxyethyl-trimethylammonium 2-hydroxyethanoate
CID 87095888
2-Hydroxyethyl-trimethylammonium L-(+)-lactate
CID 16218233
N,N-diethylethanamine;2-hydroxyacetic acid
CID 71349857
2-(Diethylamino)ethanol;oxalic acid
CID 54611892
N,N-Dimethyl(2-hydroxyethyl)ammonium 2-hydroxyacetate
CID 9942238

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;oxalic acid?
The IUPAC name of 2-(dimethylamino)ethanol;oxalic acid (CID 11693995) is 2-(dimethylamino)ethanol;oxalic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;oxalic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;oxalic acid is CN(C)CCO.O=C(O)C(=O)O.
What is the InChIKey of 2-(dimethylamino)ethanol;oxalic acid?
The InChIKey is GNZIJDPENVQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H2O4/c1-5(2)3-4-6;3-1(4)2(5)6/h6H,3-4H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-(dimethylamino)ethanol;oxalic acid?
2-(dimethylamino)ethanol;oxalic acid has a molecular weight of 179.17 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;oxalic acid is sourced from PubChem (CID 11693995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).