methyl 2-(methylamino)propanoate;hydrochloride

C5H12ClNO2 — CID 23437773

IUPACmethyl 2-(methylamino)propanoate;hydrochloride
SMILESCNC(C)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H
InChIKeyCYMQHMBRKIJBGI-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.19
Rot. Bonds2

About methyl 2-(methylamino)propanoate;hydrochloride

methyl 2-(methylamino)propanoate;hydrochloride (PubChem CID 23437773) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl 2-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(methylamino)propanoate;hydrochloride
PubChem CID23437773
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl 2-(methylamino)propanoate;hydrochloride
SMILESCNC(C)C(=O)OC.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H
InChIKeyCYMQHMBRKIJBGI-UHFFFAOYSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2-(methylamino)propanoate;hydrochloride (CID 23437773) is methyl 2-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-(methylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2-(methylamino)propanoate;hydrochloride is CNC(C)C(=O)OC.Cl.
What is the InChIKey of methyl 2-(methylamino)propanoate;hydrochloride?
The InChIKey is CYMQHMBRKIJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H.
What are the key properties of methyl 2-(methylamino)propanoate;hydrochloride?
methyl 2-(methylamino)propanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 23437773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).