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

C21H25N3O3 — CID 56951376

IUPAC2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/m0/s1
InChIKeyDQLLEORXWPVYGE-QSFXBCCZSA-N
MW367.45 g/mol
LogP3.56
Rot. Bonds8

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

2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate (PubChem CID 56951376) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate
PubChem CID56951376
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/m0/s1
InChIKeyDQLLEORXWPVYGE-QSFXBCCZSA-N
XLogP3.56
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 45254040
CID 45254040
CID 56951495
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CID 10287639
CID 56951497
CID 56951497
CID 9839702
CID 9839702
CID 20872720
CID 20872720
CID 20872721
CID 20872721
CID 20872725
CID 20872725
CID 20872726
CID 20872726
CID 20872732
CID 20872732
CID 22872635
CID 22872635
CID 44372111
CID 44372111

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate?
The IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate (CID 56951376) is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate is O=C(Nc1ccccc1)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-phenylcarbamate?
The InChIKey is DQLLEORXWPVYGE-QSFXBCCZSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(24-17-4-2-1-3-5-17)26-9-7-15-11-20(15)16-10-19(13-22-12-16)27-14-18-6-8-23-18/h1-5,10,12-13,15,18,20,23H,6-9,11,14H2,(H,24,25)/t15-,18-,20-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate?
2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-phenylcarbamate has a molecular weight of 367.45 g/mol, XLogP of 3.56, 8 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-phenylcarbamate is sourced from PubChem (CID 56951376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).