tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate

C11H22N2O2 — CID 45092197

IUPACtert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8,4)5/h8,12H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeySRIANBFFCCZBBZ-MRVPVSSYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds1

About tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate (PubChem CID 45092197) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
PubChem CID45092197
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8,4)5/h8,12H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1
InChIKeySRIANBFFCCZBBZ-MRVPVSSYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
CID 138113063
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate (CID 45092197) is tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNCC1(C)C.
What is the InChIKey of tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate?
The InChIKey is SRIANBFFCCZBBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8,4)5/h8,12H,6-7H2,1-5H3,(H,13,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 45092197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).