3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C18H33NO6Si — CID 166567645

IUPAC3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCO[Si](CCCNC(=O)C1C2CCC(C2)C1C(=O)O)(OCC)OCC
InChIInChI=1S/C18H33NO6Si/c1-4-23-26(24-5-2,25-6-3)11-7-10-19-17(20)15-13-8-9-14(12-13)16(15)18(21)22/h13-16H,4-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYWQGBYRUDDDFHI-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.29
Rot. Bonds12

About 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 166567645) has the molecular formula C18H33NO6Si and a molecular weight of 387.55 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID166567645
Molecular FormulaC18H33NO6Si
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCO[Si](CCCNC(=O)C1C2CCC(C2)C1C(=O)O)(OCC)OCC
InChIInChI=1S/C18H33NO6Si/c1-4-23-26(24-5-2,25-6-3)11-7-10-19-17(20)15-13-8-9-14(12-13)16(15)18(21)22/h13-16H,4-12H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYWQGBYRUDDDFHI-UHFFFAOYSA-N
XLogP2.29
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-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

(1S,4R)-3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 174032142
(1S,2R,3R,4S)-3-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716070
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
3-amino-N-(4-ethoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722400
2,3-bis[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]butanedioic acid
CID 174032180
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
3-[2-[(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)amino]propylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4172482
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620316
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779

Frequently Asked Questions

What is the IUPAC name of 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 166567645) is 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid is CCO[Si](CCCNC(=O)C1C2CCC(C2)C1C(=O)O)(OCC)OCC.
What is the InChIKey of 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YWQGBYRUDDDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO6Si/c1-4-23-26(24-5-2,25-6-3)11-7-10-19-17(20)15-13-8-9-14(12-13)16(15)18(21)22/h13-16H,4-12H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 387.55 g/mol, XLogP of 2.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 166567645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).