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

C7H17NO3 — CID 164543067

IUPACethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
SMILESCC.CN(CCO)CC(=O)O
InChIInChI=1S/C5H11NO3.C2H6/c1-6(2-3-7)4-5(8)9;1-2/h7H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyJORILLCSTDVIQH-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.02
Rot. Bonds4

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

ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid (PubChem CID 164543067) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Nameethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
PubChem CID164543067
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Nameethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
SMILESCC.CN(CCO)CC(=O)O
InChIInChI=1S/C5H11NO3.C2H6/c1-6(2-3-7)4-5(8)9;1-2/h7H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyJORILLCSTDVIQH-UHFFFAOYSA-N
XLogP0.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
CID 87469111
CID 87469111
4-[2-hydroxyethyl(methyl)amino]-3-methylbut-2-enoic acid
CID 77005874
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[hexyl(methyl)amino]acetic acid
CID 10197909
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid?
The IUPAC name of ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid (CID 164543067) is ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid.
What is the SMILES notation for ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid?
The canonical SMILES for ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid is CC.CN(CCO)CC(=O)O.
What is the InChIKey of ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid?
The InChIKey is JORILLCSTDVIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C2H6/c1-6(2-3-7)4-5(8)9;1-2/h7H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid?
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid has a molecular weight of 163.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid is sourced from PubChem (CID 164543067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).