methyl 4-(ethylamino)butanoate;hydrochloride

C7H16ClNO2 — CID 118798526

IUPACmethyl 4-(ethylamino)butanoate;hydrochloride
SMILESCCNCCCC(=O)OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-8-6-4-5-7(9)10-2;/h8H,3-6H2,1-2H3;1H
InChIKeyZCDPCIDJUQBESL-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.97
Rot. Bonds5

About methyl 4-(ethylamino)butanoate;hydrochloride

methyl 4-(ethylamino)butanoate;hydrochloride (PubChem CID 118798526) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is methyl 4-(ethylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(ethylamino)butanoate;hydrochloride
PubChem CID118798526
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Namemethyl 4-(ethylamino)butanoate;hydrochloride
SMILESCCNCCCC(=O)OC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-8-6-4-5-7(9)10-2;/h8H,3-6H2,1-2H3;1H
InChIKeyZCDPCIDJUQBESL-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)butanoate;hydrochloride?
The IUPAC name of methyl 4-(ethylamino)butanoate;hydrochloride (CID 118798526) is methyl 4-(ethylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl 4-(ethylamino)butanoate;hydrochloride?
The canonical SMILES for methyl 4-(ethylamino)butanoate;hydrochloride is CCNCCCC(=O)OC.Cl.
What is the InChIKey of methyl 4-(ethylamino)butanoate;hydrochloride?
The InChIKey is ZCDPCIDJUQBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-8-6-4-5-7(9)10-2;/h8H,3-6H2,1-2H3;1H.
What are the key properties of methyl 4-(ethylamino)butanoate;hydrochloride?
methyl 4-(ethylamino)butanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)butanoate;hydrochloride is sourced from PubChem (CID 118798526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).