benzyl 3-aminopropanoate;hydrochloride

C10H14ClNO2 — CID 19434764

IUPACbenzyl 3-aminopropanoate;hydrochloride
SMILESCl.NCCC(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2.ClH/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2;1H
InChIKeyQIBWNGWEFYSLCM-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.50
Rot. Bonds4

About benzyl 3-aminopropanoate;hydrochloride

benzyl 3-aminopropanoate;hydrochloride (PubChem CID 19434764) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is benzyl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-aminopropanoate;hydrochloride
PubChem CID19434764
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namebenzyl 3-aminopropanoate;hydrochloride
SMILESCl.NCCC(=O)OCc1ccccc1
InChIInChI=1S/C10H13NO2.ClH/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2;1H
InChIKeyQIBWNGWEFYSLCM-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-aminopropanoate;hydrochloride?
The IUPAC name of benzyl 3-aminopropanoate;hydrochloride (CID 19434764) is benzyl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for benzyl 3-aminopropanoate;hydrochloride?
The canonical SMILES for benzyl 3-aminopropanoate;hydrochloride is Cl.NCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-aminopropanoate;hydrochloride?
The InChIKey is QIBWNGWEFYSLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;/h1-5H,6-8,11H2;1H.
What are the key properties of benzyl 3-aminopropanoate;hydrochloride?
benzyl 3-aminopropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 19434764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).