tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate

C20H27N3O7 — CID 68958161

IUPACtert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H27N3O7/c1-20(2,3)29-19(27)30-23-11-15(24)10-16(23)18(26)21-13-4-6-14(7-5-13)22-8-9-28-12-17(22)25/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,26)/t15-,16-/m1/s1
InChIKeyQZDVNIWREZYYTA-HZPDHXFCSA-N
MW421.45 g/mol
LogP1.29
Rot. Bonds4

About tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate

tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate (PubChem CID 68958161) has the molecular formula C20H27N3O7 and a molecular weight of 421.45 g/mol. Its IUPAC name is tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate
PubChem CID68958161
Molecular FormulaC20H27N3O7
Molecular Weight421.45 g/mol
Exact Mass421.18
IUPAC Nametert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate
SMILESCC(C)(C)OC(=O)ON1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C20H27N3O7/c1-20(2,3)29-19(27)30-23-11-15(24)10-16(23)18(26)21-13-4-6-14(7-5-13)22-8-9-28-12-17(22)25/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,26)/t15-,16-/m1/s1
InChIKeyQZDVNIWREZYYTA-HZPDHXFCSA-N
XLogP1.29
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate with MolForge

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Related Compounds

tert-butyl 4-methylsulfinyloxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;ethane
CID 143202355
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
5-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 110665423
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 66593201
tert-butyl (2R,4S)-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methyl]-4-methylpyrrolidine-1-carboxylate
CID 142946530
tert-butyl 1-[(4-chlorophenyl)carbamoyl]-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]piperazin-1-ium-1-carboxylate
CID 87634771
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] 2-methylpropanoate
CID 66593237
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]-4-(2,2,2-trifluoroethoxy)pyrrolidine-1,2-dicarboxamide
CID 59646129
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 72812814
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11352019
[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 91288811
tert-butyl (2S)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51126858

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate?
The IUPAC name of tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate (CID 68958161) is tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate?
The canonical SMILES for tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate is CC(C)(C)OC(=O)ON1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate?
The InChIKey is QZDVNIWREZYYTA-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27N3O7/c1-20(2,3)29-19(27)30-23-11-15(24)10-16(23)18(26)21-13-4-6-14(7-5-13)22-8-9-28-12-17(22)25/h4-7,15-16,24H,8-12H2,1-3H3,(H,21,26)/t15-,16-/m1/s1.
What are the key properties of tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate?
tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate has a molecular weight of 421.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate is sourced from PubChem (CID 68958161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).