methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate

C12H17BrN2O3 — CID 103492304

IUPACmethyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(Br)CNCc1cc(OC)cc(C)n1
InChIInChI=1S/C12H17BrN2O3/c1-8-4-10(17-2)5-9(15-8)6-14-7-11(13)12(16)18-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyJQIMEJRSCYRKEQ-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.42
Rot. Bonds6

About methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate

methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate (PubChem CID 103492304) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
PubChem CID103492304
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Namemethyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
SMILESCOC(=O)C(Br)CNCc1cc(OC)cc(C)n1
InChIInChI=1S/C12H17BrN2O3/c1-8-4-10(17-2)5-9(15-8)6-14-7-11(13)12(16)18-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyJQIMEJRSCYRKEQ-UHFFFAOYSA-N
XLogP1.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]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-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
CID 82893538
methyl 2-bromo-3-[(5-methylpyrazin-2-yl)methylamino]propanoate
CID 103249596
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 82893469
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
2,2,3,3-tetrafluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 103529375
methyl 2-bromo-3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 103492308

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate?
The IUPAC name of methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate (CID 103492304) is methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate is COC(=O)C(Br)CNCc1cc(OC)cc(C)n1.
What is the InChIKey of methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate?
The InChIKey is JQIMEJRSCYRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-8-4-10(17-2)5-9(15-8)6-14-7-11(13)12(16)18-3/h4-5,11,14H,6-7H2,1-3H3.
What are the key properties of methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate?
methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate has a molecular weight of 317.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate is sourced from PubChem (CID 103492304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).