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

Name: Trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃NO₃ — CID 170693913

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID	170693913
Molecular Formula	C₁₁H₁₃NO₃
Molecular Weight	207.23 g/mol
Exact Mass	207.09
IUPAC Name	trans-methyl (1S,2S)-2-(4-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILES	COC(=O)[C@H]1C[C@@H]1c1cc(OC)ccn1
InChI	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
InChIKey	VXFUGRQKPQSQBU-IUCAKERBSA-N
XLogP	1.37
TPSA	48.42 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.23
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 170693913 — identifiers, structure, computed properties (public domain)

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