3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid

C30H43NO4Si — CID 18669607

IUPAC3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(CC(C)C)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-21(2)17-28(31-22(3)32)27-19-23(29(33)34)18-24(27)20-35-36(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,23-24,27-28H,17-20H2,1-6H3,(H,31,32)(H,33,34)
InChIKeyMZBYQEQRLHIHJJ-UHFFFAOYSA-N
MW509.76 g/mol
LogP4.84
Rot. Bonds10

About 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid

3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid (PubChem CID 18669607) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
PubChem CID18669607
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Name3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid
SMILESCC(=O)NC(CC(C)C)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-21(2)17-28(31-22(3)32)27-19-23(29(33)34)18-24(27)20-35-36(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,23-24,27-28H,17-20H2,1-6H3,(H,31,32)(H,33,34)
InChIKeyMZBYQEQRLHIHJJ-UHFFFAOYSA-N
XLogP4.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.76
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid (CID 18669607) is 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid is CC(=O)NC(CC(C)C)C1CC(C(=O)O)CC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MZBYQEQRLHIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-21(2)17-28(31-22(3)32)27-19-23(29(33)34)18-24(27)20-35-36(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,23-24,27-28H,17-20H2,1-6H3,(H,31,32)(H,33,34).
What are the key properties of 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid?
3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid has a molecular weight of 509.76 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-3-methylbutyl)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 18669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).