carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol

C6H15NO5 — CID 12507221

IUPACcarbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CCO.O=C(O)O
InChIInChI=1S/C5H13NO2.CH2O3/c1-6(2-4-7)3-5-8;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyZCILJVJVZQKZQP-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.87
Rot. Bonds4

About carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol

carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 12507221) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Namecarbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID12507221
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Namecarbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CCO.O=C(O)O
InChIInChI=1S/C5H13NO2.CH2O3/c1-6(2-4-7)3-5-8;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4)
InChIKeyZCILJVJVZQKZQP-UHFFFAOYSA-N
XLogP-0.87
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 12507221) is carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CCO.O=C(O)O.
What is the InChIKey of carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is ZCILJVJVZQKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.CH2O3/c1-6(2-4-7)3-5-8;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 181.19 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 12507221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).