tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate

C12H22N2O3 — CID 56604508

IUPACtert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C2COC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)13-9-4-5-14(6-9)10-7-16-8-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyIOYBTYBAKOMBTP-VIFPVBQESA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate (PubChem CID 56604508) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
PubChem CID56604508
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C2COC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)13-9-4-5-14(6-9)10-7-16-8-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyIOYBTYBAKOMBTP-VIFPVBQESA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate (CID 56604508) is tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(C2COC2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is IOYBTYBAKOMBTP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)13-9-4-5-14(6-9)10-7-16-8-10/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 56604508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).