CID 22393499

C19H30NO4Si — CID 22393499

IUPAC—
SMILESC[Si](C)OC(C1CC(OCc2ccccc2)CN1C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30NO4Si/c1-19(2,3)17(24-25(4)5)16-11-15(12-20(16)18(21)22)23-13-14-9-7-6-8-10-14/h6-10,15-17H,11-13H2,1-5H3,(H,21,22)
InChIKeyHNRSHPHKWYMSTO-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.01
Rot. Bonds6

About CID 22393499

CID 22393499 (PubChem CID 22393499) has the molecular formula C19H30NO4Si and a molecular weight of 364.54 g/mol.

Molecular Properties

Compound NameCID 22393499
PubChem CID22393499
Molecular FormulaC19H30NO4Si
Molecular Weight364.54 g/mol
Exact Mass364.19
IUPAC Name—
SMILESC[Si](C)OC(C1CC(OCc2ccccc2)CN1C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30NO4Si/c1-19(2,3)17(24-25(4)5)16-11-15(12-20(16)18(21)22)23-13-14-9-7-6-8-10-14/h6-10,15-17H,11-13H2,1-5H3,(H,21,22)
InChIKeyHNRSHPHKWYMSTO-UHFFFAOYSA-N
XLogP4.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.01
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

(2S,4R)-2-formyl-4-phenylmethoxypyrrolidine-1-carboxylic acid
CID 90217678
(2S,3S)-2-benzyl-3-hydroxy-3-[(4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]propanoic acid
CID 57486688
(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid
CID 174236608
tert-butyl (2S,4S)-2-acetyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 170193477
tert-butyl 2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 14821718
tert-butyl (2R,4R)-2-(fluoromethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 164780190
1-[(2S,4R)-2-(benzhydryloxymethyl)-4-phenylmethoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 101142781
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
tert-butyl (2S,4R)-2-(2-methoxyacetyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 67422874
ethyl (2S,4R)-2-(2-ethoxy-2-oxoethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 10735531
butyl 2-formyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 156500442
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 142089520

Frequently Asked Questions

What is the IUPAC name of CID 22393499?
The IUPAC name of CID 22393499 (CID 22393499) is not available.
What is the SMILES notation for CID 22393499?
The canonical SMILES for CID 22393499 is C[Si](C)OC(C1CC(OCc2ccccc2)CN1C(=O)O)C(C)(C)C.
What is the InChIKey of CID 22393499?
The InChIKey is HNRSHPHKWYMSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30NO4Si/c1-19(2,3)17(24-25(4)5)16-11-15(12-20(16)18(21)22)23-13-14-9-7-6-8-10-14/h6-10,15-17H,11-13H2,1-5H3,(H,21,22).
What are the key properties of CID 22393499?
CID 22393499 has a molecular weight of 364.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22393499 is sourced from PubChem (CID 22393499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).