(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one

C23H35NO4Si — CID 10811914

IUPAC(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO4Si/c1-16(2)21(28-29(7,8)23(3,4)5)22(26)24-18(19(27-6)15-20(24)25)14-17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t18-,21-/m0/s1
InChIKeyGNTPZRFNDUJEIT-RXVVDRJESA-N
MW417.62 g/mol
LogP4.54
Rot. Bonds7

About (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one

(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one (PubChem CID 10811914) has the molecular formula C23H35NO4Si and a molecular weight of 417.62 g/mol. Its IUPAC name is (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one
PubChem CID10811914
Molecular FormulaC23H35NO4Si
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC Name(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C23H35NO4Si/c1-16(2)21(28-29(7,8)23(3,4)5)22(26)24-18(19(27-6)15-20(24)25)14-17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t18-,21-/m0/s1
InChIKeyGNTPZRFNDUJEIT-RXVVDRJESA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one 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

(4S)-3-[4-(t-butyldimethylsilyloxy)butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 54671782
(4R)-4-benzyl-3-[(2S,4E)-2-triethylsilyloxy-5-(trifluoromethyl)octa-4,7-dienoyl]-1,3-oxazolidin-2-one
CID 68033517
(4R)-4-benzyl-3-[(2S)-2-triethylsilyloxy-5-(trifluoromethyl)oct-7-enoyl]-1,3-oxazolidin-2-one
CID 88983225
(4S)-4-benzyl-3-[(2E,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodoocta-2,7-dienoyl]-1,3-oxazolidin-2-one
CID 11060719
(4S)-4-benzyl-3-[(E)-5-tri(propan-2-yl)silyloxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 11553780
(4R)-4-benzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-1,3-oxazolidin-2-one
CID 16071216
(4R)-4-benzyl-3-[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylhept-4-enoyl]-1,3-oxazolidin-2-one
CID 54597395
(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 54768060
(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 57382150
(4R)-4-benzyl-3-[7-[tert-butyl(dimethyl)silyl]oxyheptanoyl]-1,3-oxazolidin-2-one
CID 72163233
(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one
CID 101069805
(4S)-4-benzyl-3-[(2R)-2-triethylsilyloxypent-4-enoyl]-1,3-oxazolidin-2-one
CID 101069808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one (CID 10811914) is (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one is COC1=CC(=O)N(C(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)C)[C@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one?
The InChIKey is GNTPZRFNDUJEIT-RXVVDRJESA-N. The full InChI is InChI=1S/C23H35NO4Si/c1-16(2)21(28-29(7,8)23(3,4)5)22(26)24-18(19(27-6)15-20(24)25)14-17-12-10-9-11-13-17/h9-13,15-16,18,21H,14H2,1-8H3/t18-,21-/m0/s1.
What are the key properties of (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one?
(2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one has a molecular weight of 417.62 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-1-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one is sourced from PubChem (CID 10811914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).