methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate

C14H20N2O2 — CID 67228894

IUPACmethyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-13(17)14(10-15)7-8-16(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChIKeyHOESSESBBGIJKC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds4

About methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate

methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate (PubChem CID 67228894) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
PubChem CID67228894
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-13(17)14(10-15)7-8-16(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChIKeyHOESSESBBGIJKC-UHFFFAOYSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate 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

hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl 1-benzyl-4-[2-oxo-2-(N-phenylanilino)ethyl]piperidine-4-carboxylate
CID 170355482
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate (CID 67228894) is methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate is COC(=O)C1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate?
The InChIKey is HOESSESBBGIJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13(17)14(10-15)7-8-16(11-14)9-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3.
What are the key properties of methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate?
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate is sourced from PubChem (CID 67228894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).