7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid

C34H38N2O6Si — CID 169448757

IUPAC7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESC[Si](C)(C)C(COC(=O)N1CC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2C(=O)O)C1)c1ccccc1
InChIInChI=1S/C34H38N2O6Si/c1-43(2,3)30(23-11-5-4-6-12-23)19-42-33(40)36-21-34(22-36)20-35(17-29(34)31(37)38)32(39)41-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h4-16,28-30H,17-22H2,1-3H3,(H,37,38)
InChIKeyCSSRADBKPKMVSZ-UHFFFAOYSA-N
MW598.77 g/mol
LogP6.05
Rot. Bonds7

About 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid

7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 169448757) has the molecular formula C34H38N2O6Si and a molecular weight of 598.77 g/mol. Its IUPAC name is 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

Compound Name7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
PubChem CID169448757
Molecular FormulaC34H38N2O6Si
Molecular Weight598.77 g/mol
Exact Mass598.25
IUPAC Name7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESC[Si](C)(C)C(COC(=O)N1CC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2C(=O)O)C1)c1ccccc1
InChIInChI=1S/C34H38N2O6Si/c1-43(2,3)30(23-11-5-4-6-12-23)19-42-33(40)36-21-34(22-36)20-35(17-29(34)31(37)38)32(39)41-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h4-16,28-30H,17-22H2,1-3H3,(H,37,38)
InChIKeyCSSRADBKPKMVSZ-UHFFFAOYSA-N
XLogP6.05
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.77
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
CID 118798351
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
9H-fluoren-9-ylmethyl (1S,5S,7R)-7-(hydroxymethyl)-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 101251779
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
5-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid
CID 178192107
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
(3aS,6aR)-5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
CID 155820155
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
CID 167737559
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 167724986

Frequently Asked Questions

What is the IUPAC name of 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The IUPAC name of 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid (CID 169448757) is 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid.
What is the SMILES notation for 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The canonical SMILES for 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid is C[Si](C)(C)C(COC(=O)N1CC2(CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2C(=O)O)C1)c1ccccc1.
What is the InChIKey of 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The InChIKey is CSSRADBKPKMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O6Si/c1-43(2,3)30(23-11-5-4-6-12-23)19-42-33(40)36-21-34(22-36)20-35(17-29(34)31(37)38)32(39)41-18-28-26-15-9-7-13-24(26)25-14-8-10-16-27(25)28/h4-16,28-30H,17-22H2,1-3H3,(H,37,38).
What are the key properties of 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 598.77 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-phenyl-2-trimethylsilylethoxy)carbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 169448757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).