tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate

C12H22N2O3 — CID 67191248

IUPACtert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNC1)C1COC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-7-16-8-10)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyXWGSCFVRFYSZNI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate

tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate (PubChem CID 67191248) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
PubChem CID67191248
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNC1)C1COC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-7-16-8-10)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyXWGSCFVRFYSZNI-UHFFFAOYSA-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

tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
CID 67227612
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
CID 168977654
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate (CID 67191248) is tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate is CC(C)(C)OC(=O)N(C1CCNC1)C1COC1.
What is the InChIKey of tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate?
The InChIKey is XWGSCFVRFYSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14(10-7-16-8-10)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate?
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate 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-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 67191248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).