4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid

C20H31NO3Si — CID 174639549

IUPAC4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)C(c1ccc(CN2CC(C(=O)O)C(C)(C)C2)cc1)[Si](C)(C)C
InChIInChI=1S/C20H31NO3Si/c1-14(22)18(25(4,5)6)16-9-7-15(8-10-16)11-21-12-17(19(23)24)20(2,3)13-21/h7-10,17-18H,11-13H2,1-6H3,(H,23,24)
InChIKeyOSDZTQOPNHNFLX-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.78
Rot. Bonds6

About 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid

4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 174639549) has the molecular formula C20H31NO3Si and a molecular weight of 361.56 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID174639549
Molecular FormulaC20H31NO3Si
Molecular Weight361.56 g/mol
Exact Mass361.21
IUPAC Name4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)C(c1ccc(CN2CC(C(=O)O)C(C)(C)C2)cc1)[Si](C)(C)C
InChIInChI=1S/C20H31NO3Si/c1-14(22)18(25(4,5)6)16-9-7-15(8-10-16)11-21-12-17(19(23)24)20(2,3)13-21/h7-10,17-18H,11-13H2,1-6H3,(H,23,24)
InChIKeyOSDZTQOPNHNFLX-UHFFFAOYSA-N
XLogP3.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
4,4-dimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 117025480
2-[(4-bromophenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;hydrochloride
CID 71432598
(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 51440317
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
CID 175373957
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid (CID 174639549) is 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid is CC(=O)C(c1ccc(CN2CC(C(=O)O)C(C)(C)C2)cc1)[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OSDZTQOPNHNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3Si/c1-14(22)18(25(4,5)6)16-9-7-15(8-10-16)11-21-12-17(19(23)24)20(2,3)13-21/h7-10,17-18H,11-13H2,1-6H3,(H,23,24).
What are the key properties of 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid?
4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 361.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[4-(2-oxo-1-trimethylsilylpropyl)phenyl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 174639549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).