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

C20H30N2O3 — CID 22848377

IUPACtert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
SMILESC[C@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-14(21(6)19(24)25-20(3,4)5)17-12-18(23)22(13-17)15(2)16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t14-,15+,17-/m1/s1
InChIKeyFFKBPDNQPDFKEJ-HLLBOEOZSA-N
MW346.47 g/mol
LogP3.85
Rot. Bonds4

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

tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate (PubChem CID 22848377) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
PubChem CID22848377
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
SMILESC[C@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H30N2O3/c1-14(21(6)19(24)25-20(3,4)5)17-12-18(23)22(13-17)15(2)16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t14-,15+,17-/m1/s1
InChIKeyFFKBPDNQPDFKEJ-HLLBOEOZSA-N
XLogP3.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate (CID 22848377) is tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate is C[C@H]([C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate?
The InChIKey is FFKBPDNQPDFKEJ-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(21(6)19(24)25-20(3,4)5)17-12-18(23)22(13-17)15(2)16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3/t14-,15+,17-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate?
tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(1R)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 22848377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).