tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate

C15H24N2O4 — CID 174719309

IUPACtert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
SMILESCC(C)(C)OC(=O)CNCc1ccccn1.CCOC=O
InChIInChI=1S/C12H18N2O2.C3H6O2/c1-12(2,3)16-11(15)9-13-8-10-6-4-5-7-14-10;1-2-5-3-4/h4-7,13H,8-9H2,1-3H3;3H,2H2,1H3
InChIKeyIGTTYGYRDVWELL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.69
Rot. Bonds6

About tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate

tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate (PubChem CID 174719309) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate.

Molecular Properties

Compound Nametert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
PubChem CID174719309
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
SMILESCC(C)(C)OC(=O)CNCc1ccccn1.CCOC=O
InChIInChI=1S/C12H18N2O2.C3H6O2/c1-12(2,3)16-11(15)9-13-8-10-6-4-5-7-14-10;1-2-5-3-4/h4-7,13H,8-9H2,1-3H3;3H,2H2,1H3
InChIKeyIGTTYGYRDVWELL-UHFFFAOYSA-N
XLogP1.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl 2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]acetate
CID 78994252
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl (2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoate
CID 68875721
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
CID 78994150
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101747
tert-butyl 2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]acetate;hydroiodide
CID 111781973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate?
The IUPAC name of tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate (CID 174719309) is tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate.
What is the SMILES notation for tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate?
The canonical SMILES for tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate is CC(C)(C)OC(=O)CNCc1ccccn1.CCOC=O.
What is the InChIKey of tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate?
The InChIKey is IGTTYGYRDVWELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C3H6O2/c1-12(2,3)16-11(15)9-13-8-10-6-4-5-7-14-10;1-2-5-3-4/h4-7,13H,8-9H2,1-3H3;3H,2H2,1H3.
What are the key properties of tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate?
tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate has a molecular weight of 296.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate is sourced from PubChem (CID 174719309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).