tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate

C29H34N2O5 — CID 14506186

IUPACtert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
SMILESC=CC[C@](C)(C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H34N2O5/c1-7-18-28(5,25(33)36-27(2,3)4)31-23(21-16-12-9-13-17-21)29(6,24(31)32)30-22(19-35-26(30)34)20-14-10-8-11-15-20/h7-17,22-23H,1,18-19H2,2-6H3/t22-,23-,28-,29+/m1/s1
InChIKeyIDAHECHWCCUUGY-FZTAYZORSA-N
MW490.60 g/mol
LogP5.20
Rot. Bonds7

About tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate

tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate (PubChem CID 14506186) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
PubChem CID14506186
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Nametert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
SMILESC=CC[C@](C)(C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C29H34N2O5/c1-7-18-28(5,25(33)36-27(2,3)4)31-23(21-16-12-9-13-17-21)29(6,24(31)32)30-22(19-35-26(30)34)20-14-10-8-11-15-20/h7-17,22-23H,1,18-19H2,2-6H3/t22-,23-,28-,29+/m1/s1
InChIKeyIDAHECHWCCUUGY-FZTAYZORSA-N
XLogP5.20
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-methyl-2-[(3R,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenyl-3-prop-2-enylazetidin-1-yl]pent-4-enoate
CID 134918770
tert-butyl (2R)-2-benzyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
CID 134870452
tert-butyl (2S)-2-methyl-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
CID 134870532
(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251078
2-O-tert-butyl 7-O-prop-2-enyl (5S)-5-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]-2,7-diazaspiro[3.4]octane-2,7-dicarboxylate
CID 170757443
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
CID 68742224
[(2R,3S)-2-(2-ethenylphenyl)-3-methyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl] 3,3-dimethyl-2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]butanoate
CID 91292483
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
tert-butyl (4R,7S)-1,6-dioxo-4-phenyl-4,7,8,9-tetrahydro-3H-pyridazino[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 102533701
tert-butyl (2S,4S)-2-pent-4-enoyl-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 101106074
(4S)-3-[(3R)-3-hydroxy-2,2-dimethylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134277901
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate?
The IUPAC name of tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate (CID 14506186) is tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate?
The canonical SMILES for tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate is C=CC[C@](C)(C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate?
The InChIKey is IDAHECHWCCUUGY-FZTAYZORSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-7-18-28(5,25(33)36-27(2,3)4)31-23(21-16-12-9-13-17-21)29(6,24(31)32)30-22(19-35-26(30)34)20-14-10-8-11-15-20/h7-17,22-23H,1,18-19H2,2-6H3/t22-,23-,28-,29+/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate?
tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate has a molecular weight of 490.60 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate is sourced from PubChem (CID 14506186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).