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

C9H21NO6 — CID 160580460

IUPACacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC(=O)O.CC(=O)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.2C2H4O2/c1-6(2-4-7)3-5-8;2*1-2(3)4/h7-8H,2-5H2,1H3;2*1H3,(H,3,4)
InChIKeyRBSDMWQYPVMPCI-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.92
Rot. Bonds4

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

acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 160580460) has the molecular formula C9H21NO6 and a molecular weight of 239.27 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 CID160580460
Molecular FormulaC9H21NO6
Molecular Weight239.27 g/mol
Exact Mass239.14
IUPAC Nameacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCC(=O)O.CC(=O)O.CN(CCO)CCO
InChIInChI=1S/C5H13NO2.2C2H4O2/c1-6(2-4-7)3-5-8;2*1-2(3)4/h7-8H,2-5H2,1H3;2*1H3,(H,3,4)
InChIKeyRBSDMWQYPVMPCI-UHFFFAOYSA-N
XLogP-0.92
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175077648
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
acetic acid;2-chloro-N-(2-chloroethyl)-N-methylethanamine
CID 155047946
8-[2-hydroxyethyl(methyl)amino]octanoic acid
CID 170273809
4-[2-hydroxyethyl(methyl)amino]-3-methylbut-2-enoic acid
CID 77005874
4-[2-hydroxyethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075072
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
tris(4-hydroxy-N-(2-hydroxyethyl)-N-methyl-2-oxopent-3-enamide);iron
CID 158340454
acetic acid;1-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 170839006

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 160580460) 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.CC(=O)O.CN(CCO)CCO.
What is the InChIKey of acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is RBSDMWQYPVMPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.2C2H4O2/c1-6(2-4-7)3-5-8;2*1-2(3)4/h7-8H,2-5H2,1H3;2*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 239.27 g/mol, XLogP of -0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 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 160580460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).