3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride

C8H18ClNO3 — CID 47003074

IUPAC3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
SMILESCCOCCNCC(C)C(=O)O.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-3-12-5-4-9-6-7(2)8(10)11;/h7,9H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyDOYAWJUPMZNNFK-UHFFFAOYSA-N
MW211.69 g/mol
LogP0.75
Rot. Bonds7

About 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride

3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride (PubChem CID 47003074) has the molecular formula C8H18ClNO3 and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
PubChem CID47003074
Molecular FormulaC8H18ClNO3
Molecular Weight211.69 g/mol
Exact Mass211.10
IUPAC Name3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
SMILESCCOCCNCC(C)C(=O)O.Cl
InChIInChI=1S/C8H17NO3.ClH/c1-3-12-5-4-9-6-7(2)8(10)11;/h7,9H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyDOYAWJUPMZNNFK-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
1-(2-ethoxyethylamino)propan-2-ol
CID 43393547
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
4-[[3-(2-ethoxyethylamino)-3-oxopropyl]amino]-2-methyl-4-oxobutanoic acid
CID 159283662
6-ethoxy-2-methylhexanoic acid
CID 21074373
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride?
The IUPAC name of 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride (CID 47003074) is 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride?
The canonical SMILES for 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride is CCOCCNCC(C)C(=O)O.Cl.
What is the InChIKey of 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride?
The InChIKey is DOYAWJUPMZNNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.ClH/c1-3-12-5-4-9-6-7(2)8(10)11;/h7,9H,3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride?
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 47003074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).