tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate

C14H26N2O2 — CID 68513412

IUPACtert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-11-8-9-16(10-11)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyVFOIOFJINUUTMG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate

tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate (PubChem CID 68513412) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
PubChem CID68513412
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-11-8-9-16(10-11)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyVFOIOFJINUUTMG-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
CID 171837901
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate (CID 68513412) is tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate?
The InChIKey is VFOIOFJINUUTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-11-8-9-16(10-11)12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate?
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 68513412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).