2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate

C16H23N3O3 — CID 56951368

IUPAC2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1
InChIKeyHGSHFGWWOPXUPH-WHOFXGATSA-N
MW305.38 g/mol
LogP1.67
Rot. Bonds7

About 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate

2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate (PubChem CID 56951368) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate
PubChem CID56951368
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1
InChIKeyHGSHFGWWOPXUPH-WHOFXGATSA-N
XLogP1.67
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate with MolForge

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Related Compounds

2-[(1r,2s)-2-[5-[[(2s)-Azetidin-2-Yl]methoxy]pyridin-3-Yl]cyclopropyl]ethanol
CID 45254040
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
5-phenyl-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9839702
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755
Txg75jse9G
CID 10012482
N-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]acetamide
CID 21971458
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
F4YC7AD6MF
CID 44327305
2-[(1S,2R)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethanol
CID 56951366
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
3-[[(S)-2-Azetidinyl]methoxy]-5-(phenylethynyl)pyridine
CID 71522989

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate (CID 56951368) is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate is CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate?
The InChIKey is HGSHFGWWOPXUPH-WHOFXGATSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate?
2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate has a molecular weight of 305.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-methylcarbamate is sourced from PubChem (CID 56951368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).