trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate

C11H14N2O2 — CID 129268949

IUPACtrans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1cc(N)ccn1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)9-6-8(9)10-5-7(12)3-4-13-10/h3-5,8-9H,2,6H2,1H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyIWFORMCGRXWPPE-IUCAKERBSA-N
MW206.24 g/mol
LogP1.33
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 129268949) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID129268949
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nametrans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1cc(N)ccn1
InChIInChI=1S/C11H14N2O2/c1-2-15-11(14)9-6-8(9)10-5-7(12)3-4-13-10/h3-5,8-9H,2,6H2,1H3,(H2,12,13)/t8-,9-/m0/s1
InChIKeyIWFORMCGRXWPPE-IUCAKERBSA-N
XLogP1.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502
ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 171735423
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 118512749
trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693913
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399
ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
CID 89415647
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate (CID 129268949) is trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1cc(N)ccn1.
What is the InChIKey of trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is IWFORMCGRXWPPE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-11(14)9-6-8(9)10-5-7(12)3-4-13-10/h3-5,8-9H,2,6H2,1H3,(H2,12,13)/t8-,9-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 129268949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).