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

C31H36N2O5 — CID 134918770

IUPACtert-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
SMILESC=CC[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N([C@](C)(CC=C)C(=O)OC(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C31H36N2O5/c1-7-19-30(6,27(35)38-29(3,4)5)33-25(23-17-13-10-14-18-23)31(20-8-2,26(33)34)32-24(21-37-28(32)36)22-15-11-9-12-16-22/h7-18,24-25H,1-2,19-21H2,3-6H3/t24-,25-,30-,31-/m1/s1
InChIKeyXTILPOLFIJFTJG-KWINWIPXSA-N
MW516.64 g/mol
LogP5.75
Rot. Bonds9

About 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

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 (PubChem CID 134918770) has the molecular formula C31H36N2O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID134918770
Molecular FormulaC31H36N2O5
Molecular Weight516.64 g/mol
Exact Mass516.26
IUPAC Nametert-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
SMILESC=CC[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N([C@](C)(CC=C)C(=O)OC(C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C31H36N2O5/c1-7-19-30(6,27(35)38-29(3,4)5)33-25(23-17-13-10-14-18-23)31(20-8-2,26(33)34)32-24(21-37-28(32)36)22-15-11-9-12-16-22/h7-18,24-25H,1-2,19-21H2,3-6H3/t24-,25-,30-,31-/m1/s1
InChIKeyXTILPOLFIJFTJG-KWINWIPXSA-N
XLogP5.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 55.75
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-[(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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
(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
(4S)-1-tert-butyl-2-oxo-4-phenyl-3-prop-2-enylazetidine-3-carbonitrile
CID 171976218
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N([C@](C)(CC=C)C(=O)OC(C)(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is XTILPOLFIJFTJG-KWINWIPXSA-N. The full InChI is InChI=1S/C31H36N2O5/c1-7-19-30(6,27(35)38-29(3,4)5)33-25(23-17-13-10-14-18-23)31(20-8-2,26(33)34)32-24(21-37-28(32)36)22-15-11-9-12-16-22/h7-18,24-25H,1-2,19-21H2,3-6H3/t24-,25-,30-,31-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 516.64 g/mol, XLogP of 5.75, 9 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-[(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 is sourced from PubChem (CID 134918770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).