3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid

C9H11NO4 — CID 22708856

IUPAC3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
SMILESNC1(C(=O)O)C2CC3C(C2C(=O)O)C31
InChIInChI=1S/C9H11NO4/c10-9(8(13)14)3-1-2-4(6(2)9)5(3)7(11)12/h2-6H,1,10H2,(H,11,12)(H,13,14)
InChIKeyGJLINDSEAGONOA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.63
Rot. Bonds2

About 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid

3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid (PubChem CID 22708856) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid.

Molecular Properties

Compound Name3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
PubChem CID22708856
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
SMILESNC1(C(=O)O)C2CC3C(C2C(=O)O)C31
InChIInChI=1S/C9H11NO4/c10-9(8(13)14)3-1-2-4(6(2)9)5(3)7(11)12/h2-6H,1,10H2,(H,11,12)(H,13,14)
InChIKeyGJLINDSEAGONOA-UHFFFAOYSA-N
XLogP-0.63
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic 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

(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 66784537
(1S,2S,5S,6R)-6-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 73357649
(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 57208822
(1R,2S,5S,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 102066259
(1R,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126024
(1S,2R,3S,5R,6R,8R,9R,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4-carboxylic acid
CID 98126025
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 55300462
3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 140586637
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
CID 4866632
2'-aminospiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid
CID 141420289
3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid
CID 23009313
bicyclo[2.2.1]heptane-2,2,5,6-tetracarboxylic acid
CID 70406487

Frequently Asked Questions

What is the IUPAC name of 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid?
The IUPAC name of 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid (CID 22708856) is 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid.
What is the SMILES notation for 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid?
The canonical SMILES for 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid is NC1(C(=O)O)C2CC3C(C2C(=O)O)C31.
What is the InChIKey of 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid?
The InChIKey is GJLINDSEAGONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-9(8(13)14)3-1-2-4(6(2)9)5(3)7(11)12/h2-6H,1,10H2,(H,11,12)(H,13,14).
What are the key properties of 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid?
3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid has a molecular weight of 197.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid is sourced from PubChem (CID 22708856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).