benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate

C19H29NO4Si — CID 10642481

IUPACbenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,13,16-17H,11-12,14H2,1-5H3/t16-,17+/m0/s1
InChIKeyZBCYNFQVQGZIPA-DLBZAZTESA-N
MW363.53 g/mol
LogP3.99
Rot. Bonds5

About benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate

benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate (PubChem CID 10642481) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
PubChem CID10642481
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Namebenzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,13,16-17H,11-12,14H2,1-5H3/t16-,17+/m0/s1
InChIKeyZBCYNFQVQGZIPA-DLBZAZTESA-N
XLogP3.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
CID 391517
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
Z-O-tert-butyl-L-trans-4-hydroxyproline
CID 2802356
Boc-Hyp(Bzl)-OH
CID 11860409
1-[(Benzyloxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114537
(2S,4S)-1-Benzyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
CID 688413
1-(Phenylmethyl) (2R,4R)-4-methoxy-1,2-pyrrolidinedicarboxylate
CID 11687747
(2S,4R)-1-[(benzyloxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 12849521
1-[(Benzyloxy)carbonyl]-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 77261009
N-Cbz-(R)-4-oxo-pyrrolidine-2-carboxylic acid tert-butyl ester
CID 124632369
2-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-1,2-pyrrolidinedicarboxylate
CID 7019799
2-benzyl 1-tert-butyl (2R,3S)-3-fluoropyrrolidine-1,2-dicarboxylate
CID 15547570

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate (CID 10642481) is benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C=O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The InChIKey is ZBCYNFQVQGZIPA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-19(2,3)25(4,5)24-17-11-16(13-21)20(12-17)18(22)23-14-15-9-7-6-8-10-15/h6-10,13,16-17H,11-12,14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate has a molecular weight of 363.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10642481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).