benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate

C18H27NO4Si — CID 135010316

IUPACbenzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(C(=O)OCc2ccccc2)NC1=O
InChIInChI=1S/C18H27NO4Si/c1-18(2,3)24(4,5)23-15-11-14(19-16(15)20)17(21)22-12-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,20)/t14?,15-/m0/s1
InChIKeyFQGCVQJNDYBSNE-LOACHALJSA-N
MW349.50 g/mol
LogP3.01
Rot. Bonds5

About benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate

benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate (PubChem CID 135010316) has the molecular formula C18H27NO4Si and a molecular weight of 349.50 g/mol. Its IUPAC name is benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
PubChem CID135010316
Molecular FormulaC18H27NO4Si
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Namebenzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(C(=O)OCc2ccccc2)NC1=O
InChIInChI=1S/C18H27NO4Si/c1-18(2,3)24(4,5)23-15-11-14(19-16(15)20)17(21)22-12-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,20)/t14?,15-/m0/s1
InChIKeyFQGCVQJNDYBSNE-LOACHALJSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 5-oxopyrrolidine-2-carboxylate
CID 108474
Benzyl 5-oxoprolinate
CID 2381219
2-[[4-Methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]pentanoyl]amino]acetic acid
CID 23316621
tert-butyl 5-[1-[1-benzyloxycarbonyl-3-carbamoyl-(1S)-propylcarbamoyl]-3-carbamoyl-(1S)-propylcarbamoyl]-(5R)-dihydro-1H-1-pyrrolecarboxylate
CID 15755294
benzyl (2S)-1-[(2S)-2-[[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-3-oxohexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate
CID 10745945
Benzyl (tert-butoxycarbonyl)-L-glutaminate
CID 13091521
(S)-tert-Butyl 5-amino-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate
CID 10568866
Benzhydryl 5-oxo-L-prolinate
CID 44153457
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 118243634
1-(4-Amino-4-carboxybutanoyl)-4-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 123523590
benzyl (2S)-5-oxo-2-[(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)amino]pentanoate
CID 11046907
ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate
CID 11079384

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate (CID 135010316) is benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate is CC(C)(C)[Si](C)(C)O[C@H]1CC(C(=O)OCc2ccccc2)NC1=O.
What is the InChIKey of benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate?
The InChIKey is FQGCVQJNDYBSNE-LOACHALJSA-N. The full InChI is InChI=1S/C18H27NO4Si/c1-18(2,3)24(4,5)23-15-11-14(19-16(15)20)17(21)22-12-13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,19,20)/t14?,15-/m0/s1.
What are the key properties of benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate?
benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate has a molecular weight of 349.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 135010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).