ethyl 4-(methylamino)butanoate;hydrochloride

C7H16ClNO2 — CID 14177893

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

About ethyl 4-(methylamino)butanoate;hydrochloride

ethyl 4-(methylamino)butanoate;hydrochloride (PubChem CID 14177893) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 4-(methylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(methylamino)butanoate;hydrochloride
PubChem CID14177893
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 4-(methylamino)butanoate;hydrochloride
SMILESCCOC(=O)CCCNC.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7(9)5-4-6-8-2;/h8H,3-6H2,1-2H3;1H
InChIKeyAHPXWRAQQCDQPT-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 ethyl 4-(methylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(methylamino)butanoate;hydrochloride (CID 14177893) is ethyl 4-(methylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(methylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(methylamino)butanoate;hydrochloride is CCOC(=O)CCCNC.Cl.
What is the InChIKey of ethyl 4-(methylamino)butanoate;hydrochloride?
The InChIKey is AHPXWRAQQCDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-10-7(9)5-4-6-8-2;/h8H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 4-(methylamino)butanoate;hydrochloride?
ethyl 4-(methylamino)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 ethyl 4-(methylamino)butanoate;hydrochloride is sourced from PubChem (CID 14177893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).