ethyl 3-(methylamino)propanoate;hydrochloride

C6H14ClNO2 — CID 22629233

IUPACethyl 3-(methylamino)propanoate;hydrochloride
SMILESCCOC(=O)CCNC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H
InChIKeySJXUHDRPAYUHPJ-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.58
Rot. Bonds4

About ethyl 3-(methylamino)propanoate;hydrochloride

ethyl 3-(methylamino)propanoate;hydrochloride (PubChem CID 22629233) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl 3-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(methylamino)propanoate;hydrochloride
PubChem CID22629233
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl 3-(methylamino)propanoate;hydrochloride
SMILESCCOC(=O)CCNC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H
InChIKeySJXUHDRPAYUHPJ-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, ethyl ester, hydrochloride
CID 458475
Ethyl 3-aminopropanoate
CID 419889
Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
3-(Methylazaniumyl)propanoate
CID 25202453
Ethyl 3-(methylamino)propanoate
CID 541480
Methyl 3-(methylamino)propanoate
CID 12414198
Methyl 3-[(propan-2-yl)amino]propanoate
CID 12774812
3-(Dimethylazaniumyl)propanoate
CID 25201408
Ethyl 3-((propan-2-yl)amino)propanoate
CID 12636111
Diethyl 3,3'-Iminodipropionate
CID 352310
Methyl 3-[(2-methoxyethyl)amino]propanoate
CID 28307088
Ethyl N-ethyl-beta-alaninate
CID 90223

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(methylamino)propanoate;hydrochloride (CID 22629233) is ethyl 3-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(methylamino)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(methylamino)propanoate;hydrochloride is CCOC(=O)CCNC.Cl.
What is the InChIKey of ethyl 3-(methylamino)propanoate;hydrochloride?
The InChIKey is SJXUHDRPAYUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H.
What are the key properties of ethyl 3-(methylamino)propanoate;hydrochloride?
ethyl 3-(methylamino)propanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 22629233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).