methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate

C24H37NO4 — CID 10938316

IUPACmethyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
SMILESCOC(=O)C[C@@H](C(C)C)[C@@H](C)C(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C
InChIInChI=1S/C24H37NO4/c1-16(2)19(15-21(26)28-8)17(3)22(27)25-20(14-18-12-10-9-11-13-18)23(4,5)29-24(25,6)7/h9-13,16-17,19-20H,14-15H2,1-8H3/t17-,19+,20+/m1/s1
InChIKeyBRNUPWHEYKEFKV-HOJAQTOUSA-N
MW403.56 g/mol
LogP4.44
Rot. Bonds7

About methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate

methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate (PubChem CID 10938316) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate.

Molecular Properties

Compound Namemethyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
PubChem CID10938316
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC Namemethyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
SMILESCOC(=O)C[C@@H](C(C)C)[C@@H](C)C(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C
InChIInChI=1S/C24H37NO4/c1-16(2)19(15-21(26)28-8)17(3)22(27)25-20(14-18-12-10-9-11-13-18)23(4,5)29-24(25,6)7/h9-13,16-17,19-20H,14-15H2,1-8H3/t17-,19+,20+/m1/s1
InChIKeyBRNUPWHEYKEFKV-HOJAQTOUSA-N
XLogP4.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 21027759
1-(3,3-Dimethyl-2-oxo-butyryl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 44365151
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9906857
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester
CID 23555949
1-(1,1-Dimethylethyl) 4-phenyl-1,2-pyrrolidinedicarboxylate
CID 4712506
1-O-tert-butyl 3-O-ethyl 2-butyl-4-phenylpiperidine-1,3-dicarboxylate
CID 168290958
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
1-[(Tert-butoxy)carbonyl]-3-phenylpyrrolidine-2-carboxylic acid
CID 4712514
2-Benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 5056297
Boc-(S)-alpha-benzyl-Pro-OH
CID 6950294
1-(1,1-Dimethylethyl) (2S,4S)-4-(phenylmethyl)-1,2-pyrrolidinedicarboxylate
CID 11012191
rac-(2R,4S)-1-[(tert-butoxy)carbonyl]-4-phenylpyrrolidine-2-carboxylic acid
CID 45024438

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate?
The IUPAC name of methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate (CID 10938316) is methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate.
What is the SMILES notation for methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate?
The canonical SMILES for methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate is COC(=O)C[C@@H](C(C)C)[C@@H](C)C(=O)N1[C@@H](Cc2ccccc2)C(C)(C)OC1(C)C.
What is the InChIKey of methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate?
The InChIKey is BRNUPWHEYKEFKV-HOJAQTOUSA-N. The full InChI is InChI=1S/C24H37NO4/c1-16(2)19(15-21(26)28-8)17(3)22(27)25-20(14-18-12-10-9-11-13-18)23(4,5)29-24(25,6)7/h9-13,16-17,19-20H,14-15H2,1-8H3/t17-,19+,20+/m1/s1.
What are the key properties of methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate?
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate has a molecular weight of 403.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate is sourced from PubChem (CID 10938316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).