methyl 3-(diethylamino)propanoate;hydrochloride

C8H18ClNO2 — CID 45261410

IUPACmethyl 3-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)CCC(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-9(5-2)7-6-8(10)11-3;/h4-7H2,1-3H3;1H
InChIKeyUXLVPXOZDDFDOE-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.31
Rot. Bonds5

About methyl 3-(diethylamino)propanoate;hydrochloride

methyl 3-(diethylamino)propanoate;hydrochloride (PubChem CID 45261410) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is methyl 3-(diethylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(diethylamino)propanoate;hydrochloride
PubChem CID45261410
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Namemethyl 3-(diethylamino)propanoate;hydrochloride
SMILESCCN(CC)CCC(=O)OC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-4-9(5-2)7-6-8(10)11-3;/h4-7H2,1-3H3;1H
InChIKeyUXLVPXOZDDFDOE-UHFFFAOYSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, N,N-dimethyl-, methyl ester
CID 199226
Methyl 3-(pyrrolidin-1-yl)propanoate
CID 89167
Ethyl 3-(diethylamino)propionate
CID 79649
Methyl 3-(diethylamino)propanoate
CID 219165
Ethyl N,N-dipropyl-beta-alaninate
CID 98749
N,N-Di-(beta-carboethoxyethyl)methylamine
CID 228362
Methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate hydrochloride
CID 2909454
Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
CID 66925
Ammonium, (3-hydroxypropyl)trimethyl-, chloride, acetate
CID 27818
(3-Methoxy-2-methyl-3-oxopropyl)-trimethylazanium
CID 4092
Methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
(3-Ethoxy-3-oxopropyl)-trimethylazanium chloride
CID 49862510

Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylamino)propanoate;hydrochloride?
The IUPAC name of methyl 3-(diethylamino)propanoate;hydrochloride (CID 45261410) is methyl 3-(diethylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(diethylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(diethylamino)propanoate;hydrochloride is CCN(CC)CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-(diethylamino)propanoate;hydrochloride?
The InChIKey is UXLVPXOZDDFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-4-9(5-2)7-6-8(10)11-3;/h4-7H2,1-3H3;1H.
What are the key properties of methyl 3-(diethylamino)propanoate;hydrochloride?
methyl 3-(diethylamino)propanoate;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylamino)propanoate;hydrochloride is sourced from PubChem (CID 45261410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).