ethyl 4-(propylamino)butanoate;hydrochloride

C9H20ClNO2 — CID 88662585

IUPACethyl 4-(propylamino)butanoate;hydrochloride
SMILESCCCNCCCC(=O)OCC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-7-10-8-5-6-9(11)12-4-2;/h10H,3-8H2,1-2H3;1H
InChIKeyRJZNQUHGWQXODU-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.75
Rot. Bonds7

About ethyl 4-(propylamino)butanoate;hydrochloride

ethyl 4-(propylamino)butanoate;hydrochloride (PubChem CID 88662585) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is ethyl 4-(propylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(propylamino)butanoate;hydrochloride
PubChem CID88662585
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Nameethyl 4-(propylamino)butanoate;hydrochloride
SMILESCCCNCCCC(=O)OCC.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-3-7-10-8-5-6-9(11)12-4-2;/h10H,3-8H2,1-2H3;1H
InChIKeyRJZNQUHGWQXODU-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.75
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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Related Compounds

3-[(4-ethoxy-4-oxobutyl)amino]propanoic acid
CID 64579324
ethyl 4-(4-hydroxybutylamino)butanoate
CID 64580289
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
ethyl 3-(octylamino)propanoate
CID 46318537
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
4-(propylamino)butanamide
CID 21468794
diethyl hexanedioate
CID 160747628
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
tert-butyl 4-(propylamino)butanoate
CID 22329227
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
nonyl 4-(nonylamino)butanoate
CID 142432007
ethyl 4-(pentanoylamino)butanoate
CID 60654722

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(propylamino)butanoate;hydrochloride (CID 88662585) is ethyl 4-(propylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(propylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(propylamino)butanoate;hydrochloride is CCCNCCCC(=O)OCC.Cl.
What is the InChIKey of ethyl 4-(propylamino)butanoate;hydrochloride?
The InChIKey is RJZNQUHGWQXODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-3-7-10-8-5-6-9(11)12-4-2;/h10H,3-8H2,1-2H3;1H.
What are the key properties of ethyl 4-(propylamino)butanoate;hydrochloride?
ethyl 4-(propylamino)butanoate;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propylamino)butanoate;hydrochloride is sourced from PubChem (CID 88662585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).