(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C19H29NO5Si — CID 10249151

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29NO5Si/c1-19(2,3)26(4,5)25-15-11-16(17(21)22)20(12-15)18(23)24-13-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyFGHHMWWDHGQPPT-CVEARBPZSA-N
MW379.53 g/mol
LogP3.87
Rot. Bonds5

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 10249151) has the molecular formula C19H29NO5Si and a molecular weight of 379.53 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID10249151
Molecular FormulaC19H29NO5Si
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H29NO5Si/c1-19(2,3)26(4,5)25-15-11-16(17(21)22)20(12-15)18(23)24-13-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyFGHHMWWDHGQPPT-CVEARBPZSA-N
XLogP3.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 10249151) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is FGHHMWWDHGQPPT-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29NO5Si/c1-19(2,3)26(4,5)25-15-11-16(17(21)22)20(12-15)18(23)24-13-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3,(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 379.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10249151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).