(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid

C15H28FNO5Si — CID 174165287

IUPAC(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@]1(C(=O)O)C[C@H](F)CN1C(=O)O
InChIInChI=1S/C15H28FNO5Si/c1-14(2,3)23(4,5)22-8-6-7-15(12(18)19)9-11(16)10-17(15)13(20)21/h11H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t11-,15-/m0/s1
InChIKeyLYVZKGAVPGUUHZ-NHYWBVRUSA-N
MW349.48 g/mol
LogP3.33
Rot. Bonds6

About (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid

(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid (PubChem CID 174165287) has the molecular formula C15H28FNO5Si and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid
PubChem CID174165287
Molecular FormulaC15H28FNO5Si
Molecular Weight349.48 g/mol
Exact Mass349.17
IUPAC Name(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@]1(C(=O)O)C[C@H](F)CN1C(=O)O
InChIInChI=1S/C15H28FNO5Si/c1-14(2,3)23(4,5)22-8-6-7-15(12(18)19)9-11(16)10-17(15)13(20)21/h11H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t11-,15-/m0/s1
InChIKeyLYVZKGAVPGUUHZ-NHYWBVRUSA-N
XLogP3.33
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
CID 67123094
(4S)-4-fluoro-2-(2-oxoethyl)pyrrolidine-1,2-dicarboxylic acid
CID 91287750
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
CID 69446341
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-(3,3-dimethylbutan-2-yloxycarbonyl)-3-oxopyrrolidine-1-carboxylic acid
CID 174214143
tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
CID 90288475
methyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-formylcyclopropane-1-carboxylate
CID 10935487
6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
CID 175321794
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropiperidin-4-yl]carbamic acid
CID 68610096
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid (CID 174165287) is (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid is CC(C)(C)[Si](C)(C)OCCC[C@@]1(C(=O)O)C[C@H](F)CN1C(=O)O.
What is the InChIKey of (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid?
The InChIKey is LYVZKGAVPGUUHZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H28FNO5Si/c1-14(2,3)23(4,5)22-8-6-7-15(12(18)19)9-11(16)10-17(15)13(20)21/h11H,6-10H2,1-5H3,(H,18,19)(H,20,21)/t11-,15-/m0/s1.
What are the key properties of (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid?
(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid has a molecular weight of 349.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 174165287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).