3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid

C11H15NO4 — CID 22708867

IUPAC3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
SMILESCCNC1(C(=O)O)C2CC3C1C3(C(=O)O)C2
InChIInChI=1S/C11H15NO4/c1-2-12-11(9(15)16)5-3-6-7(11)10(6,4-5)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMUYZSHDFEONMKI-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.16
Rot. Bonds4

About 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid

3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid (PubChem CID 22708867) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
PubChem CID22708867
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
SMILESCCNC1(C(=O)O)C2CC3C1C3(C(=O)O)C2
InChIInChI=1S/C11H15NO4/c1-2-12-11(9(15)16)5-3-6-7(11)10(6,4-5)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyMUYZSHDFEONMKI-UHFFFAOYSA-N
XLogP0.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 177368073
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3-(ethylamino)oxolane-3-carboxylic acid
CID 63335789
3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
CID 23439370
2-[2-(ethylamino)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 83828652
3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 64752076
2-acetamidoadamantane-2-carboxylic acid
CID 15322577
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79655921
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid?
The IUPAC name of 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid (CID 22708867) is 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid.
What is the SMILES notation for 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid?
The canonical SMILES for 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid is CCNC1(C(=O)O)C2CC3C1C3(C(=O)O)C2.
What is the InChIKey of 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid?
The InChIKey is MUYZSHDFEONMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-12-11(9(15)16)5-3-6-7(11)10(6,4-5)8(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid?
3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid is sourced from PubChem (CID 22708867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).