2-(methylamino)ethanol;oxalic acid

C5H11NO5 — CID 11506516

IUPAC2-(methylamino)ethanol;oxalic acid
SMILESCNCCO.O=C(O)C(=O)O
InChIInChI=1S/C3H9NO.C2H2O4/c1-4-2-3-5;3-1(4)2(5)6/h4-5H,2-3H2,1H3;(H,3,4)(H,5,6)
InChIKeyKCLMLXZYKFMVJH-UHFFFAOYSA-N
MW165.15 g/mol
LogP-1.65
Rot. Bonds2

About 2-(methylamino)ethanol;oxalic acid

2-(methylamino)ethanol;oxalic acid (PubChem CID 11506516) has the molecular formula C5H11NO5 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-(methylamino)ethanol;oxalic acid.

Molecular Properties

Compound Name2-(methylamino)ethanol;oxalic acid
PubChem CID11506516
Molecular FormulaC5H11NO5
Molecular Weight165.15 g/mol
Exact Mass165.06
IUPAC Name2-(methylamino)ethanol;oxalic acid
SMILESCNCCO.O=C(O)C(=O)O
InChIInChI=1S/C3H9NO.C2H2O4/c1-4-2-3-5;3-1(4)2(5)6/h4-5H,2-3H2,1H3;(H,3,4)(H,5,6)
InChIKeyKCLMLXZYKFMVJH-UHFFFAOYSA-N
XLogP-1.65
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-(methylamino)ethanol
CID 87131288
2-(methylamino)ethanol;platinum
CID 174353574
2-(methylamino)ethanol;nobelium
CID 59962769
methane;2-(methylamino)ethanol
CID 158004537
2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
dioxotitanium;2-(methylamino)ethanol
CID 174872921
bis(2-(methylamino)ethanol);nickel(2+);diacetate
CID 158242939
bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466
azane;2-(methylamino)ethanol;sulfuric acid
CID 175379230
2-(methylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 86076103
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
dichlorozirconium;2-(methylamino)ethanol
CID 174434300

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanol;oxalic acid?
The IUPAC name of 2-(methylamino)ethanol;oxalic acid (CID 11506516) is 2-(methylamino)ethanol;oxalic acid.
What is the SMILES notation for 2-(methylamino)ethanol;oxalic acid?
The canonical SMILES for 2-(methylamino)ethanol;oxalic acid is CNCCO.O=C(O)C(=O)O.
What is the InChIKey of 2-(methylamino)ethanol;oxalic acid?
The InChIKey is KCLMLXZYKFMVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H2O4/c1-4-2-3-5;3-1(4)2(5)6/h4-5H,2-3H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(methylamino)ethanol;oxalic acid?
2-(methylamino)ethanol;oxalic acid has a molecular weight of 165.15 g/mol, XLogP of -1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanol;oxalic acid is sourced from PubChem (CID 11506516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).