[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate

C16H24N2O2 — CID 175027236

IUPAC[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-15(19)20-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyIUFXSJUTYPONRE-CQSZACIVSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate

[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate (PubChem CID 175027236) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
PubChem CID175027236
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)17-15(19)20-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyIUFXSJUTYPONRE-CQSZACIVSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
[1-(2,2-difluoro-3-phenylpropanoyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 90709878
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 53235333
2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
CID 78913239
[1-benzyl-3-[[4-(2-cyanoethyl)phenyl]methyl]piperidin-4-yl] N-tert-butylcarbamate
CID 70818676
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
CID 155390510
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate?
The IUPAC name of [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate (CID 175027236) is [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate?
The InChIKey is IUFXSJUTYPONRE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)17-15(19)20-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate?
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175027236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).