tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate

C13H20N2O2 — CID 63305533

IUPACtert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
SMILESCc1cccnc1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-15-11(10)8-14-9-12(16)17-13(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyDALMXEWLFCCWEP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate

tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate (PubChem CID 63305533) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
PubChem CID63305533
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
SMILESCc1cccnc1CNCC(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-15-11(10)8-14-9-12(16)17-13(2,3)4/h5-7,14H,8-9H2,1-4H3
InChIKeyDALMXEWLFCCWEP-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
tert-butyl 2-[(2-hydroxy-3-methylphenyl)methylamino]acetate
CID 112607107
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate (CID 63305533) is tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate is Cc1cccnc1CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate?
The InChIKey is DALMXEWLFCCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-5-7-15-11(10)8-14-9-12(16)17-13(2,3)4/h5-7,14H,8-9H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate?
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate has a molecular weight of 236.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate is sourced from PubChem (CID 63305533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).