methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate

C11H22N2O2 — CID 112709329

IUPACmethyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(CN)CC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-5-3-9(4-6-13)7-10(8-12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeySNEQVSLJCWGIGP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate

methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate (PubChem CID 112709329) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
PubChem CID112709329
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(CN)CC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-5-3-9(4-6-13)7-10(8-12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeySNEQVSLJCWGIGP-UHFFFAOYSA-N
XLogP0.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-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

methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl 2-methyl-3-(1-methylpyrrolidin-3-yl)propanoate
CID 83980575
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
methyl 2-(1-methylpiperidin-4-yl)acetate;hydrochloride
CID 170913421
methane;methyl 2-(1-methylpiperidin-4-yl)acetate
CID 160918320
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
methyl 3-amino-2-(1-methylazetidin-3-yl)propanoate
CID 83816379
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
methyl (Z)-4-(1-methylpiperidin-4-yl)but-2-enoate
CID 117266148
methyl 2-(aminomethyl)pentanoate
CID 65220226
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate (CID 112709329) is methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate is COC(=O)C(CN)CC1CCN(C)CC1.
What is the InChIKey of methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate?
The InChIKey is SNEQVSLJCWGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-5-3-9(4-6-13)7-10(8-12)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate?
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate is sourced from PubChem (CID 112709329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).