(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid

C19H24O3Si — CID 99773408

IUPAC(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](C(=O)O)[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-14(20)17(19(21)22)18(15-10-6-4-7-11-15)23(2,3)16-12-8-5-9-13-16/h4-14,17-18,20H,1-3H3,(H,21,22)/t14-,17+,18-/m1/s1
InChIKeyFWSPPXISTPEPSH-FHLIZLRMSA-N
MW328.48 g/mol
LogP3.01
Rot. Bonds6

About (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid

(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid (PubChem CID 99773408) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid
PubChem CID99773408
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](C(=O)O)[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-14(20)17(19(21)22)18(15-10-6-4-7-11-15)23(2,3)16-12-8-5-9-13-16/h4-14,17-18,20H,1-3H3,(H,21,22)/t14-,17+,18-/m1/s1
InChIKeyFWSPPXISTPEPSH-FHLIZLRMSA-N
XLogP3.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]butanoate
CID 101269072
(2S,3S)-3-[dimethyl(phenyl)silyl]-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 11255556
[(1R,2S)-2-[dimethyl(phenyl)silyl]-1,2-diphenylethyl] benzoate
CID 154721488
1-[dimethyl(phenyl)silyl]-1-phenylpropan-2-one
CID 146161942
3-[dimethyl(phenyl)silyl]-1,3-diphenylpropan-1-one
CID 584995
(1,2-diphenyl-2-pyridin-4-ylethyl)-dimethyl-phenylsilane
CID 170555113
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
(2S,3S)-3-hydroxy-3-phenyl-2-trimethylsilylpropanoic acid
CID 10988339
(2S)-2-[(S)-amino(phenyl)methyl]-3-methylbutanoic acid
CID 102133379
bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid (CID 99773408) is (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](C(=O)O)[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid?
The InChIKey is FWSPPXISTPEPSH-FHLIZLRMSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-14(20)17(19(21)22)18(15-10-6-4-7-11-15)23(2,3)16-12-8-5-9-13-16/h4-14,17-18,20H,1-3H3,(H,21,22)/t14-,17+,18-/m1/s1.
What are the key properties of (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid?
(2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid has a molecular weight of 328.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(S)-[dimethyl(phenyl)silyl]-phenylmethyl]-3-hydroxybutanoic acid is sourced from PubChem (CID 99773408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).