benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

C16H22N2O2 — CID 82358742

IUPACbenzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCC=CC1CN
InChIInChI=1S/C16H22N2O2/c1-13(18-10-6-5-9-15(18)11-17)16(19)20-12-14-7-3-2-4-8-14/h2-5,7-9,13,15H,6,10-12,17H2,1H3
InChIKeyOASHBMFRNFIZFN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.71
Rot. Bonds5

About benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (PubChem CID 82358742) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.

Molecular Properties

Compound Namebenzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
PubChem CID82358742
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCC=CC1CN
InChIInChI=1S/C16H22N2O2/c1-13(18-10-6-5-9-15(18)11-17)16(19)20-12-14-7-3-2-4-8-14/h2-5,7-9,13,15H,6,10-12,17H2,1H3
InChIKeyOASHBMFRNFIZFN-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82358732
benzyl 2-(2-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-7-yl)propanoate
CID 146289764
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
benzyl 2-(9-azabicyclo[3.3.1]nonan-9-yl)propanoate
CID 174258999
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (2S)-2-(dibenzylamino)-3-methylbutanoate
CID 11280665
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 2-[(4R)-3-oxo-4-(propan-2-ylamino)pyrrolidin-1-yl]propanoate
CID 139548074
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The IUPAC name of benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (CID 82358742) is benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.
What is the SMILES notation for benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The canonical SMILES for benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is CC(C(=O)OCc1ccccc1)N1CCC=CC1CN.
What is the InChIKey of benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The InChIKey is OASHBMFRNFIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(18-10-6-5-9-15(18)11-17)16(19)20-12-14-7-3-2-4-8-14/h2-5,7-9,13,15H,6,10-12,17H2,1H3.
What are the key properties of benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate has a molecular weight of 274.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is sourced from PubChem (CID 82358742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).