trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate

C11H13NO3 — CID 142405028

IUPACtrans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(O)cn1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)9-5-8(9)10-4-3-7(13)6-12-10/h3-4,6,8-9,13H,2,5H2,1H3/t8-,9-/m1/s1
InChIKeyOKYWCNIURAMGHJ-RKDXNWHRSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 142405028) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID142405028
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nametrans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(O)cn1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)9-5-8(9)10-4-3-7(13)6-12-10/h3-4,6,8-9,13H,2,5H2,1H3/t8-,9-/m1/s1
InChIKeyOKYWCNIURAMGHJ-RKDXNWHRSA-N
XLogP1.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 118512749
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
CID 142405041
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
ethyl (1R)-2-[5-[(5-bromo-2,4-difluorophenyl)methylamino]-2-pyridinyl]cyclopropane-1-carboxylate
CID 142404959
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
trans-ethyl (1S,2S)-2-[5-[[3-bromo-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]cyclopropane-1-carboxylate
CID 135262632
ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
CID 118432884

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate (CID 142405028) is trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1ccc(O)cn1.
What is the InChIKey of trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is OKYWCNIURAMGHJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)9-5-8(9)10-4-3-7(13)6-12-10/h3-4,6,8-9,13H,2,5H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 142405028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).