methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate

C11H16N2O3 — CID 63984543

IUPACmethyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cccc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-13(8-11(14)16-3)7-9-5-4-6-10(12-9)15-2/h4-6H,7-8H2,1-3H3
InChIKeyPYVOXHWBKPBKPQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.69
Rot. Bonds5

About methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate

methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate (PubChem CID 63984543) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
PubChem CID63984543
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1cccc(OC)n1
InChIInChI=1S/C11H16N2O3/c1-13(8-11(14)16-3)7-9-5-4-6-10(12-9)15-2/h4-6H,7-8H2,1-3H3
InChIKeyPYVOXHWBKPBKPQ-UHFFFAOYSA-N
XLogP0.69
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
CID 63984337
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63986317
N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
CID 99827590
2-chloro-3-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 63985535
methyl 3-[(6-methoxy-2-pyridinyl)-methylamino]propanoate
CID 63588552
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate (CID 63984543) is methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1cccc(OC)n1.
What is the InChIKey of methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate?
The InChIKey is PYVOXHWBKPBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(8-11(14)16-3)7-9-5-4-6-10(12-9)15-2/h4-6H,7-8H2,1-3H3.
What are the key properties of methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate?
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate has a molecular weight of 224.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate is sourced from PubChem (CID 63984543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).