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

C16H24N2O2 — CID 10286119

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

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

tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate (PubChem CID 10286119) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
PubChem CID10286119
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeyPHOIDJGLYWEUEK-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

tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252
tert-butyl N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75993992
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]carbamate
CID 175191930
tert-butyl N-[1-[(1-benzylpyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18717996
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate (CID 10286119) is tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate?
The InChIKey is PHOIDJGLYWEUEK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(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 tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate 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 tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 10286119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).