methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate

C12H18N2O2 — CID 106487890

IUPACmethyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(CN)Cc1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-14-10(9)7-12(2,8-13)11(15)16-3/h4-6H,7-8,13H2,1-3H3
InChIKeyBYAWNQFGZWMQBK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.07
Rot. Bonds4

About methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate

methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate (PubChem CID 106487890) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
PubChem CID106487890
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)C(C)(CN)Cc1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-9-5-4-6-14-10(9)7-12(2,8-13)11(15)16-3/h4-6H,7-8,13H2,1-3H3
InChIKeyBYAWNQFGZWMQBK-UHFFFAOYSA-N
XLogP1.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)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

2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148503

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate (CID 106487890) is methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate is COC(=O)C(C)(CN)Cc1ncccc1C.
What is the InChIKey of methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate?
The InChIKey is BYAWNQFGZWMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-4-6-14-10(9)7-12(2,8-13)11(15)16-3/h4-6H,7-8,13H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate?
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 106487890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).