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

C7H17NO4 — CID 158131738

IUPACacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC(=O)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C2H4O2/c1-6(2-4-7)3-5-8;1-2(3)4/h7-8H,2-5H2,1H3;1H3,(H,3,4)
InChIKeyFSVXRLGJVADKNL-UHFFFAOYSA-N
MW179.22 g/mol
LogP-1.01
Rot. Bonds4

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

acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 158131738) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID158131738
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Nameacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC(=O)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.C2H4O2/c1-6(2-4-7)3-5-8;1-2(3)4/h7-8H,2-5H2,1H3;1H3,(H,3,4)
InChIKeyFSVXRLGJVADKNL-UHFFFAOYSA-N
XLogP-1.01
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Bicine
CID 8761
Choline bicarbonate
CID 6552
(2-Hydroxyethyl)iminodiacetic acid
CID 7152
Glycine, N,N-bis(2-hydroxyethyl)-, sodium salt (1:1)
CID 23690434
Formic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 90610
Ethanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, hydroxide (1:1)
CID 118525
Triethanolamine acetate
CID 159752
2-Propanol, 1,1',1''-nitrilotris-, acetate (1:1)
CID 21760756
Ethanol, 2,2'-(methylimino)bis-, monoacetate (ester)
CID 218057
N-(2-Hydroxyethyl)-N-methylglycine
CID 11446353
Oxibetaine
CID 168886
Cholin acetate
CID 11643980

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 158131738) is acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is CC(=O)O.CN(CCO)CCO.
What is the InChIKey of acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is FSVXRLGJVADKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C2H4O2/c1-6(2-4-7)3-5-8;1-2(3)4/h7-8H,2-5H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 179.22 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 158131738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).