tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate

C13H20N2O2 — CID 55137911

IUPACtert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
SMILESCc1ccc(CNCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(8-15-10)7-14-9-12(16)17-13(2,3)4/h5-6,8,14H,7,9H2,1-4H3
InChIKeyRTUPVNZQQVMPDP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate

tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate (PubChem CID 55137911) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
PubChem CID55137911
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
SMILESCc1ccc(CNCC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(8-15-10)7-14-9-12(16)17-13(2,3)4/h5-6,8,14H,7,9H2,1-4H3
InChIKeyRTUPVNZQQVMPDP-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

tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 62996750
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate (CID 55137911) is tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate is Cc1ccc(CNCC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
The InChIKey is RTUPVNZQQVMPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-11(8-15-10)7-14-9-12(16)17-13(2,3)4/h5-6,8,14H,7,9H2,1-4H3.
What are the key properties of tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate?
tert-butyl 2-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methylamino]acetate is sourced from PubChem (CID 55137911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).