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

C14H26N2O2 — CID 18939323

IUPACtert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-9-15-8-11(12)10-6-4-5-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyBPXYRGXZPFXSFZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.29
Rot. Bonds2

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

tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate (PubChem CID 18939323) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
PubChem CID18939323
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1C1CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-9-15-8-11(12)10-6-4-5-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyBPXYRGXZPFXSFZ-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-cyclohexylpyrrolidin-3-yl)carbamate
CID 18939351
tert-butyl N-[(3S,4R)-4-cyclohexylpyrrolidin-3-yl]carbamate
CID 129387241
tert-butyl N-[(7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl]carbamate
CID 22871748
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
CID 137480616
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-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate (CID 18939323) is tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNCC1C1CCCC1.
What is the InChIKey of tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate?
The InChIKey is BPXYRGXZPFXSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-9-15-8-11(12)10-6-4-5-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate?
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 18939323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).