ethyl 4-aminopentanoate;hydrochloride

C7H16ClNO2 — CID 14220288

IUPACethyl 4-aminopentanoate;hydrochloride
SMILESCCOC(=O)CCC(C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7(9)5-4-6(2)8;/h6H,3-5,8H2,1-2H3;1H
InChIKeyYVLTWRUFPWJJTP-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.10
Rot. Bonds4

About ethyl 4-aminopentanoate;hydrochloride

ethyl 4-aminopentanoate;hydrochloride (PubChem CID 14220288) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 4-aminopentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-aminopentanoate;hydrochloride
PubChem CID14220288
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 4-aminopentanoate;hydrochloride
SMILESCCOC(=O)CCC(C)N.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-10-7(9)5-4-6(2)8;/h6H,3-5,8H2,1-2H3;1H
InChIKeyYVLTWRUFPWJJTP-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-aminopentanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminopentanoate;hydrochloride?
The IUPAC name of ethyl 4-aminopentanoate;hydrochloride (CID 14220288) is ethyl 4-aminopentanoate;hydrochloride.
What is the SMILES notation for ethyl 4-aminopentanoate;hydrochloride?
The canonical SMILES for ethyl 4-aminopentanoate;hydrochloride is CCOC(=O)CCC(C)N.Cl.
What is the InChIKey of ethyl 4-aminopentanoate;hydrochloride?
The InChIKey is YVLTWRUFPWJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-10-7(9)5-4-6(2)8;/h6H,3-5,8H2,1-2H3;1H.
What are the key properties of ethyl 4-aminopentanoate;hydrochloride?
ethyl 4-aminopentanoate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminopentanoate;hydrochloride is sourced from PubChem (CID 14220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).