tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate

C13H26N2O2 — CID 121207555

IUPACtert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)9-7-14-8-10(9)15-11(16)17-13(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyCHPYTXSNANRHCY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate

tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate (PubChem CID 121207555) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
PubChem CID121207555
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)9-7-14-8-10(9)15-11(16)17-13(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyCHPYTXSNANRHCY-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
tert-butyl N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 137480616
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate (CID 121207555) is tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNCC1C(C)(C)C.
What is the InChIKey of tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate?
The InChIKey is CHPYTXSNANRHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)9-7-14-8-10(9)15-11(16)17-13(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate?
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 121207555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).