tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate

C26H31N3O5 — CID 157353938

IUPACtert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
SMILESCn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4C(=O)OC(C)(C)C)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C26H31N3O5/c1-25(2,3)34-24(33)29-15-18(30)13-21(29)19-14-26(4,23(32)27-19)17-11-9-16(10-12-17)20-7-6-8-22(31)28(20)5/h6-12,18,21,30H,13-15H2,1-5H3/t18-,21?,26?/m1/s1
InChIKeySGCPOUNVEUCCCE-RLKFFWBLSA-N
MW465.55 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate

tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 157353938) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
PubChem CID157353938
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Nametert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
SMILESCn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4C(=O)OC(C)(C)C)=NC3=O)cc2)cccc1=O
InChIInChI=1S/C26H31N3O5/c1-25(2,3)34-24(33)29-15-18(30)13-21(29)19-14-26(4,23(32)27-19)17-11-9-16(10-12-17)20-7-6-8-22(31)28(20)5/h6-12,18,21,30H,13-15H2,1-5H3/t18-,21?,26?/m1/s1
InChIKeySGCPOUNVEUCCCE-RLKFFWBLSA-N
XLogP3.05
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (4R)-2-[(4S)-4-[4-(2-fluorophenyl)phenyl]-4-methyl-5-oxo-3H-pyrrol-2-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 157959342
tert-butyl (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
CID 157353939
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one;hydrochloride
CID 158345732
6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
CID 157353937

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate (CID 157353938) is tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate is Cn1c(-c2ccc(C3(C)CC(C4C[C@@H](O)CN4C(=O)OC(C)(C)C)=NC3=O)cc2)cccc1=O.
What is the InChIKey of tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is SGCPOUNVEUCCCE-RLKFFWBLSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-25(2,3)34-24(33)29-15-18(30)13-21(29)19-14-26(4,23(32)27-19)17-11-9-16(10-12-17)20-7-6-8-22(31)28(20)5/h6-12,18,21,30H,13-15H2,1-5H3/t18-,21?,26?/m1/s1.
What are the key properties of tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(1-methyl-6-oxo-2-pyridinyl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 157353938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).