methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate

C8H12N2O2 — CID 139418915

IUPACmethyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=CN=C(CN)CC1
InChIInChI=1S/C8H12N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h5H,2-4,9H2,1H3
InChIKeyLIBACUKNXVCMFO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.24
Rot. Bonds2

About methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate

methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate (PubChem CID 139418915) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate
PubChem CID139418915
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=CN=C(CN)CC1
InChIInChI=1S/C8H12N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h5H,2-4,9H2,1H3
InChIKeyLIBACUKNXVCMFO-UHFFFAOYSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-3,4-dihydropyridine-5-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

methyl (2E,8E)-10-amino-4,5,6,7-tetrahydroazecine-3-carboxylate
CID 129127714
methyl 4-(bromomethyl)cyclohexa-1,3-diene-1-carboxylate
CID 143221663
methyl 7H-imidazo[4,5-b]pyridine-6-carboxylate
CID 139930692
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
methyl 5-methyl-4-trimethylsilylcyclohexa-1,4-diene-1-carboxylate
CID 10398730
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-(aminomethyl)-1-methylpyrrole-2-carboxylate
CID 58009672
methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
CID 166869376
methyl cyclododecene-1-carboxylate
CID 54564642
methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
CID 173297533
methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
CID 139307516

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate (CID 139418915) is methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate is COC(=O)C1=CN=C(CN)CC1.
What is the InChIKey of methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate?
The InChIKey is LIBACUKNXVCMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h5H,2-4,9H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate?
methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 139418915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).