tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate

C16H24N2O2 — CID 53439169

IUPACtert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-13-9-17-11-14(13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyHTSCGVPJZSCYDO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 53439169) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
PubChem CID53439169
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CNCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-13-9-17-11-14(13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,18,19)
InChIKeyHTSCGVPJZSCYDO-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[(3-oxo-2-phenylcyclohexyl)methyl]carbamate
CID 112757460
tert-butyl N-[[(1S,2R)-3-oxo-2-phenylcyclohexyl]methyl]carbamate
CID 124676163
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
CID 95241558
tert-butyl N-[(4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]carbamate
CID 54593034
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
CID 130800949
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 170430375
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate (CID 53439169) is tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CNCC1c1ccccc1.
What is the InChIKey of tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is HTSCGVPJZSCYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-13-9-17-11-14(13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 53439169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).