benzyl 3-(methylamino)propanoate;hydrochloride

C11H16ClNO2 — CID 69355610

IUPACbenzyl 3-(methylamino)propanoate;hydrochloride
SMILESCNCCC(=O)OCc1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-8-7-11(13)14-9-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3;1H
InChIKeyCIQLLFDMBVAOPR-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.76
Rot. Bonds5

About benzyl 3-(methylamino)propanoate;hydrochloride

benzyl 3-(methylamino)propanoate;hydrochloride (PubChem CID 69355610) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is benzyl 3-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-(methylamino)propanoate;hydrochloride
PubChem CID69355610
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namebenzyl 3-(methylamino)propanoate;hydrochloride
SMILESCNCCC(=O)OCc1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-8-7-11(13)14-9-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3;1H
InChIKeyCIQLLFDMBVAOPR-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18804
N-Benzyloxycarbonyl-beta-alanine
CID 75313
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CID 11701227
Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
CID 376763
D-Alanine, phenylmethyl ester
CID 726857
benzyl (2S)-2-amino-3-methylbutanoate
CID 6950584
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229
Benzyl L-alaninate hydrochloride
CID 437645
Benzyl (3-Oxopropyl)carbamate
CID 10398106
benzyl N-(2-methylpropyl)carbamate
CID 14568365
H-Ser(Bzl)-Ome,hcL
CID 44630138

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(methylamino)propanoate;hydrochloride?
The IUPAC name of benzyl 3-(methylamino)propanoate;hydrochloride (CID 69355610) is benzyl 3-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for benzyl 3-(methylamino)propanoate;hydrochloride?
The canonical SMILES for benzyl 3-(methylamino)propanoate;hydrochloride is CNCCC(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl 3-(methylamino)propanoate;hydrochloride?
The InChIKey is CIQLLFDMBVAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-12-8-7-11(13)14-9-10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3;1H.
What are the key properties of benzyl 3-(methylamino)propanoate;hydrochloride?
benzyl 3-(methylamino)propanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 69355610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).