ethyl 2-(methylamino)butanoate;hydrochloride

C7H16ClNO2 — CID 140660246

IUPACethyl 2-(methylamino)butanoate;hydrochloride
SMILESCCOC(=O)C(CC)NC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-6(8-3)7(9)10-5-2;/h6,8H,4-5H2,1-3H3;1H
InChIKeyMTPOXOQPYFZJKT-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-(methylamino)butanoate;hydrochloride

ethyl 2-(methylamino)butanoate;hydrochloride (PubChem CID 140660246) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 2-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(methylamino)butanoate;hydrochloride
PubChem CID140660246
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-(methylamino)butanoate;hydrochloride
SMILESCCOC(=O)C(CC)NC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-6(8-3)7(9)10-5-2;/h6,8H,4-5H2,1-3H3;1H
InChIKeyMTPOXOQPYFZJKT-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 2-(methylamino)butanoate;hydrochloride (CID 140660246) is ethyl 2-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(methylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 2-(methylamino)butanoate;hydrochloride is CCOC(=O)C(CC)NC.Cl.
What is the InChIKey of ethyl 2-(methylamino)butanoate;hydrochloride?
The InChIKey is MTPOXOQPYFZJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-6(8-3)7(9)10-5-2;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of ethyl 2-(methylamino)butanoate;hydrochloride?
ethyl 2-(methylamino)butanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 140660246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).