(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C24H39NO6Si — CID 175719667

IUPAC(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)C[C@@]1(Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H39NO6Si/c1-21(2,3)31-20(28)25-16-23(29,17-30-32(7,8)22(4,5)6)15-24(25,19(26)27)14-18-12-10-9-11-13-18/h9-13,29H,14-17H2,1-8H3,(H,26,27)/t23-,24+/m1/s1
InChIKeyJLSCUABLNVDNIV-RPWUZVMVSA-N
MW465.66 g/mol
LogP4.45
Rot. Bonds6

About (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 175719667) has the molecular formula C24H39NO6Si and a molecular weight of 465.66 g/mol. Its IUPAC name is (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID175719667
Molecular FormulaC24H39NO6Si
Molecular Weight465.66 g/mol
Exact Mass465.25
IUPAC Name(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)C[C@@]1(Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H39NO6Si/c1-21(2,3)31-20(28)25-16-23(29,17-30-32(7,8)22(4,5)6)15-24(25,19(26)27)14-18-12-10-9-11-13-18/h9-13,29H,14-17H2,1-8H3,(H,26,27)/t23-,24+/m1/s1
InChIKeyJLSCUABLNVDNIV-RPWUZVMVSA-N
XLogP4.45
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 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

2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 174039842
1-O-tert-butyl 2-O-methyl (2R,4R)-2-benzyl-4-fluoropyrrolidine-1,2-dicarboxylate
CID 101423756
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
(3S,5S)-5-benzyl-5-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 11152265
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 7135694
1-O-tert-butyl 2-O-methyl (2S,4S)-2-[(4-bromophenyl)methyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 162677631
2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1,2-dicarboxylate;2-O-benzyl 1-O-tert-butyl (2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate;2-O-benzyl 1-O-tert-butyl (2S,4S)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate;2-O-benzyl 1-O-tert-butyl (2S)-4-methylidenepyrrolidine-1,2-dicarboxylate;(2S)-4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 160534876
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol
CID 135019735
tert-butyl 3-benzyl-3-hydroxy-2H-pyrrole-1-carboxylate
CID 175304795

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 175719667) is (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)C[C@@]1(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JLSCUABLNVDNIV-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H39NO6Si/c1-21(2,3)31-20(28)25-16-23(29,17-30-32(7,8)22(4,5)6)15-24(25,19(26)27)14-18-12-10-9-11-13-18/h9-13,29H,14-17H2,1-8H3,(H,26,27)/t23-,24+/m1/s1.
What are the key properties of (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 465.66 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175719667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).