tert-butyl 2-(2-pyridin-2-ylethylamino)acetate

C13H20N2O2 — CID 60680814

IUPACtert-butyl 2-(2-pyridin-2-ylethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)10-14-9-7-11-6-4-5-8-15-11/h4-6,8,14H,7,9-10H2,1-3H3
InChIKeyVQTXBQHDBUWKOP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.56
Rot. Bonds5

About tert-butyl 2-(2-pyridin-2-ylethylamino)acetate

tert-butyl 2-(2-pyridin-2-ylethylamino)acetate (PubChem CID 60680814) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-(2-pyridin-2-ylethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-pyridin-2-ylethylamino)acetate
PubChem CID60680814
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-(2-pyridin-2-ylethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)10-14-9-7-11-6-4-5-8-15-11/h4-6,8,14H,7,9-10H2,1-3H3
InChIKeyVQTXBQHDBUWKOP-UHFFFAOYSA-N
XLogP1.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]acetate;hydroiodide
CID 111781973
tert-butyl 2-(pyridin-2-ylmethylamino)acetate;ethyl formate
CID 174719309
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-pyridin-2-ylethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-pyridin-2-ylethylamino)acetate (CID 60680814) is tert-butyl 2-(2-pyridin-2-ylethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-pyridin-2-ylethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-pyridin-2-ylethylamino)acetate is CC(C)(C)OC(=O)CNCCc1ccccn1.
What is the InChIKey of tert-butyl 2-(2-pyridin-2-ylethylamino)acetate?
The InChIKey is VQTXBQHDBUWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)10-14-9-7-11-6-4-5-8-15-11/h4-6,8,14H,7,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2-pyridin-2-ylethylamino)acetate?
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate has a molecular weight of 236.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-pyridin-2-ylethylamino)acetate is sourced from PubChem (CID 60680814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).