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

C18H25N3O3 — CID 56951372

IUPAC2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/m0/s1
InChIKeyYPUPVMYOUBYNAY-NUTKFTJISA-N
MW331.42 g/mol
LogP2.20
Rot. Bonds8

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

2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate (PubChem CID 56951372) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate.

Molecular Properties

Compound Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate
PubChem CID56951372
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/m0/s1
InChIKeyYPUPVMYOUBYNAY-NUTKFTJISA-N
XLogP2.20
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-cyclopropylcarbamate?
The IUPAC name of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate (CID 56951372) is 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate.
What is the SMILES notation for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate?
The canonical SMILES for 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate is O=C(NC1CC1)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-cyclopropylcarbamate?
The InChIKey is YPUPVMYOUBYNAY-NUTKFTJISA-N. The full InChI is InChI=1S/C18H25N3O3/c22-18(21-14-1-2-14)23-6-4-12-8-17(12)13-7-16(10-19-9-13)24-11-15-3-5-20-15/h7,9-10,12,14-15,17,20H,1-6,8,11H2,(H,21,22)/t12-,15-,17-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate?
2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl N-cyclopropylcarbamate has a molecular weight of 331.42 g/mol, XLogP of 2.20, 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-cyclopropylcarbamate is sourced from PubChem (CID 56951372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).