(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid

C16H30FNO4Si — CID 142327861

IUPAC(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C16H30FNO4Si/c1-15(2,3)23(6,7)22-10-16(4,5)9-18-12(14(20)21)8-11(17)13(18)19/h11-12H,8-10H2,1-7H3,(H,20,21)/t11-,12+/m1/s1
InChIKeyTXECKVHGRMWPCM-NEPJUHHUSA-N
MW347.50 g/mol
LogP3.06
Rot. Bonds6

About (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid

(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 142327861) has the molecular formula C16H30FNO4Si and a molecular weight of 347.50 g/mol. Its IUPAC name is (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
PubChem CID142327861
Molecular FormulaC16H30FNO4Si
Molecular Weight347.50 g/mol
Exact Mass347.19
IUPAC Name(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](F)C[C@H]1C(=O)O
InChIInChI=1S/C16H30FNO4Si/c1-15(2,3)23(6,7)22-10-16(4,5)9-18-12(14(20)21)8-11(17)13(18)19/h11-12H,8-10H2,1-7H3,(H,20,21)/t11-,12+/m1/s1
InChIKeyTXECKVHGRMWPCM-NEPJUHHUSA-N
XLogP3.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid (CID 142327861) is (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid is CC(C)(CO[Si](C)(C)C(C)(C)C)CN1C(=O)[C@H](F)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is TXECKVHGRMWPCM-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H30FNO4Si/c1-15(2,3)23(6,7)22-10-16(4,5)9-18-12(14(20)21)8-11(17)13(18)19/h11-12H,8-10H2,1-7H3,(H,20,21)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid?
(2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 347.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-4-fluoro-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142327861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).