methyl 3-aminopropanoate;hydrochloride

C4H10ClNO2 — CID 2734767

IUPACmethyl 3-aminopropanoate;hydrochloride
SMILESCOC(=O)CCN.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKeyXPGRZDJXVKFLHQ-UHFFFAOYSA-N
MW139.58 g/mol
LogP-0.07
Rot. Bonds2

About methyl 3-aminopropanoate;hydrochloride

methyl 3-aminopropanoate;hydrochloride (PubChem CID 2734767) has the molecular formula C4H10ClNO2 and a molecular weight of 139.58 g/mol. Its IUPAC name is methyl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-aminopropanoate;hydrochloride
PubChem CID2734767
Molecular FormulaC4H10ClNO2
Molecular Weight139.58 g/mol
Exact Mass139.04
IUPAC Namemethyl 3-aminopropanoate;hydrochloride
SMILESCOC(=O)CCN.Cl
InChIInChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKeyXPGRZDJXVKFLHQ-UHFFFAOYSA-N
XLogP-0.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminopropanoate;hydrochloride?
The IUPAC name of methyl 3-aminopropanoate;hydrochloride (CID 2734767) is methyl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for methyl 3-aminopropanoate;hydrochloride?
The canonical SMILES for methyl 3-aminopropanoate;hydrochloride is COC(=O)CCN.Cl.
What is the InChIKey of methyl 3-aminopropanoate;hydrochloride?
The InChIKey is XPGRZDJXVKFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H.
What are the key properties of methyl 3-aminopropanoate;hydrochloride?
methyl 3-aminopropanoate;hydrochloride has a molecular weight of 139.58 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 2734767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).