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

C17H25N3O3 — CID 56951370

IUPAC2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/m0/s1
InChIKeyZPZKWVOWBPNQFC-NOLJZWGESA-N
MW319.41 g/mol
LogP2.01
Rot. Bonds7

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

2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate (PubChem CID 56951370) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate
PubChem CID56951370
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/m0/s1
InChIKeyZPZKWVOWBPNQFC-NOLJZWGESA-N
XLogP2.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate (CID 56951370) is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate is CN(C)C(=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,N-dimethylcarbamate?
The InChIKey is ZPZKWVOWBPNQFC-NOLJZWGESA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)17(21)22-6-4-12-8-16(12)13-7-15(10-18-9-13)23-11-14-3-5-19-14/h7,9-10,12,14,16,19H,3-6,8,11H2,1-2H3/t12-,14-,16-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate?
2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N,N-dimethylcarbamate has a molecular weight of 319.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 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,N-dimethylcarbamate is sourced from PubChem (CID 56951370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).