tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate

C22H32N2O3 — CID 22633915

IUPACtert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
SMILESCC(c1ccccc1)N1CC(CC2(NC(=O)OC(C)(C)C)CCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-16(18-9-6-5-7-10-18)24-15-17(13-19(24)25)14-22(11-8-12-22)23-20(26)27-21(2,3)4/h5-7,9-10,16-17H,8,11-15H2,1-4H3,(H,23,26)
InChIKeySRPAFMHZILAGEP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.43
Rot. Bonds5

About tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate (PubChem CID 22633915) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
PubChem CID22633915
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate
SMILESCC(c1ccccc1)N1CC(CC2(NC(=O)OC(C)(C)C)CCC2)CC1=O
InChIInChI=1S/C22H32N2O3/c1-16(18-9-6-5-7-10-18)24-15-17(13-19(24)25)14-22(11-8-12-22)23-20(26)27-21(2,3)4/h5-7,9-10,16-17H,8,11-15H2,1-4H3,(H,23,26)
InChIKeySRPAFMHZILAGEP-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
tert-butyl N-[4-oxo-5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 70917701
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 22848377
tert-butyl N-[4-(fluoromethyl)-2-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamate
CID 18762932
S-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168665932
3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]propanal
CID 163433479
tert-butyl N-[(3aS,6aR)-3a-fluoro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67491116
tert-butyl N-[(3aR,6aR)-3a-chloro-2-[(1R)-1-phenylethyl]-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-6a-yl]carbamate
CID 67490881

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate (CID 22633915) is tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate is CC(c1ccccc1)N1CC(CC2(NC(=O)OC(C)(C)C)CCC2)CC1=O.
What is the InChIKey of tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate?
The InChIKey is SRPAFMHZILAGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16(18-9-6-5-7-10-18)24-15-17(13-19(24)25)14-22(11-8-12-22)23-20(26)27-21(2,3)4/h5-7,9-10,16-17H,8,11-15H2,1-4H3,(H,23,26).
What are the key properties of tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 22633915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).