1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

C13H18O5 — CID 156556699

IUPAC1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(OCCO)C12CC3CC(C1)C(C(=O)O)(C3)C2
InChIInChI=1S/C13H18O5/c14-1-2-18-11(17)12-4-8-3-9(6-12)13(5-8,7-12)10(15)16/h8-9,14H,1-7H2,(H,15,16)
InChIKeyHXKGFPROFLLLLP-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.80
Rot. Bonds4

About 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (PubChem CID 156556699) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
PubChem CID156556699
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
SMILESO=C(OCCO)C12CC3CC(C1)C(C(=O)O)(C3)C2
InChIInChI=1S/C13H18O5/c14-1-2-18-11(17)12-4-8-3-9(6-12)13(5-8,7-12)10(15)16/h8-9,14H,1-7H2,(H,15,16)
InChIKeyHXKGFPROFLLLLP-UHFFFAOYSA-N
XLogP0.80
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-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

6-Hexoxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 23290292
2-Hydroxyethyl 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 57720031
5-O-tert-butyl 1-O-(2-hydroxycyclohexyl) 2-methyl-4-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]pentanedioate
CID 58980545
4-Octadecoxycarbonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 69974678
2-Hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate
CID 70907498
2-Hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate
CID 118049180
Diethyl tricyclo[3.3.1.03,7]nonane-1,3-dicarboxylate
CID 144079323
2-Hydroxyethyl 3-hydroxytricyclo[3.3.1.03,7]nonane-1-carboxylate
CID 147551684
Dimethyl tricyclo[3.3.1.03,7]nonane-1,3-dicarboxylate
CID 149572829
Bis(2-hydroxyethyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 154684438
Bis(2-hydroxyethyl) 2,2-dimethylcyclopentane-1,3-dicarboxylate
CID 154684439
trans-bis(2-hydroxyethyl) (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 155059333

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid (CID 156556699) is 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is O=C(OCCO)C12CC3CC(C1)C(C(=O)O)(C3)C2.
What is the InChIKey of 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
The InChIKey is HXKGFPROFLLLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c14-1-2-18-11(17)12-4-8-3-9(6-12)13(5-8,7-12)10(15)16/h8-9,14H,1-7H2,(H,15,16).
What are the key properties of 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid?
1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid has a molecular weight of 254.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxycarbonyl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid is sourced from PubChem (CID 156556699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).