trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate

C11H13NO3 — CID 170693913

IUPACtrans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(OC)ccn1
InChIInChI=1S/C11H13NO3/c1-14-7-3-4-12-10(5-7)8-6-9(8)11(13)15-2/h3-5,8-9H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyVXFUGRQKPQSQBU-IUCAKERBSA-N
MW207.23 g/mol
LogP1.37
Rot. Bonds3

About trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 170693913) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID170693913
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nametrans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1cc(OC)ccn1
InChIInChI=1S/C11H13NO3/c1-14-7-3-4-12-10(5-7)8-6-9(8)11(13)15-2/h3-5,8-9H,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyVXFUGRQKPQSQBU-IUCAKERBSA-N
XLogP1.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate (CID 170693913) is trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1c1cc(OC)ccn1.
What is the InChIKey of trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is VXFUGRQKPQSQBU-IUCAKERBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-7-3-4-12-10(5-7)8-6-9(8)11(13)15-2/h3-5,8-9H,6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170693913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).