tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate

C30H38N2O4 — CID 123656564

IUPACtert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C30H38N2O4/c1-29(2,3)21-12-10-20(11-13-21)24(25-16-15-23(19-8-9-19)27(31-25)35-7)18-22-14-17-26(33)32(22)28(34)36-30(4,5)6/h10-13,15-16,18-19,22H,8-9,14,17H2,1-7H3/t22-/m1/s1
InChIKeyITJWLSCVPRFZJV-JOCHJYFZSA-N
MW490.64 g/mol
LogP6.62
Rot. Bonds5

About tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 123656564) has the molecular formula C30H38N2O4 and a molecular weight of 490.64 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID123656564
Molecular FormulaC30H38N2O4
Molecular Weight490.64 g/mol
Exact Mass490.28
IUPAC Nametert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate
SMILESCOc1nc(C(=C[C@H]2CCC(=O)N2C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C30H38N2O4/c1-29(2,3)21-12-10-20(11-13-21)24(25-16-15-23(19-8-9-19)27(31-25)35-7)18-22-14-17-26(33)32(22)28(34)36-30(4,5)6/h10-13,15-16,18-19,22H,8-9,14,17H2,1-7H3/t22-/m1/s1
InChIKeyITJWLSCVPRFZJV-JOCHJYFZSA-N
XLogP6.62
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67396302
(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67399197
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669
(5R)-5-[2-(5-acetyl-6-methoxy-2-pyridinyl)-2-(4-tert-butylphenyl)ethenyl]-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 67400683
tert-butyl (2R)-2-(4-methoxyphenyl)-5-oxopyrrolidine-1-carboxylate
CID 24813040
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
(5R)-5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398498
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
2-[(E)-3-(4-tert-butylphenyl)-3-(5-chloro-6-methoxy-2-pyridinyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one
CID 67401025
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate (CID 123656564) is tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate is COc1nc(C(=C[C@H]2CCC(=O)N2C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)ccc1C1CC1.
What is the InChIKey of tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is ITJWLSCVPRFZJV-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H38N2O4/c1-29(2,3)21-12-10-20(11-13-21)24(25-16-15-23(19-8-9-19)27(31-25)35-7)18-22-14-17-26(33)32(22)28(34)36-30(4,5)6/h10-13,15-16,18-19,22H,8-9,14,17H2,1-7H3/t22-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 490.64 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 123656564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).