3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid

C15H21NO4Si — CID 167736345

IUPAC3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid
SMILESC[Si]1(C)CC(C(=O)O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO4Si/c1-21(2)10-13(14(17)18)8-16(11-21)15(19)20-9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyLFVQPXIMMKMQLV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.59
Rot. Bonds3

About 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid

3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid (PubChem CID 167736345) has the molecular formula C15H21NO4Si and a molecular weight of 307.42 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid
PubChem CID167736345
Molecular FormulaC15H21NO4Si
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid
SMILESC[Si]1(C)CC(C(=O)O)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO4Si/c1-21(2)10-13(14(17)18)8-16(11-21)15(19)20-9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyLFVQPXIMMKMQLV-UHFFFAOYSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-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

benzyl piperidine-1-carboxylate
CID 158057698
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 58284767
1-(1-phenylmethoxycarbonylazetidin-3-yl)azetidine-3-carboxylic acid
CID 45072504
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
(3R,5S)-5-(dimethylamino)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 125458452
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
(3R,5S)-5-acetyloxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 124650170
(3S,4R)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 89439878
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid (CID 167736345) is 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid is C[Si]1(C)CC(C(=O)O)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid?
The InChIKey is LFVQPXIMMKMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4Si/c1-21(2)10-13(14(17)18)8-16(11-21)15(19)20-9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid?
3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid has a molecular weight of 307.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenylmethoxycarbonyl-1,3-azasilinane-5-carboxylic acid is sourced from PubChem (CID 167736345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).