(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

C10H13NO2 — CID 110172348

IUPAC(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESNC[C@]12C3C=CC(C3)C1C2C(=O)O
InChIInChI=1S/C10H13NO2/c11-4-10-6-2-1-5(3-6)7(10)8(10)9(12)13/h1-2,5-8H,3-4,11H2,(H,12,13)/t5?,6?,7?,8?,10-/m0/s1
InChIKeyIANSTHOIGSGFRF-FFECJYOWSA-N
MW179.22 g/mol
LogP0.47
Rot. Bonds2

About (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (PubChem CID 110172348) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
PubChem CID110172348
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESNC[C@]12C3C=CC(C3)C1C2C(=O)O
InChIInChI=1S/C10H13NO2/c11-4-10-6-2-1-5(3-6)7(10)8(10)9(12)13/h1-2,5-8H,3-4,11H2,(H,12,13)/t5?,6?,7?,8?,10-/m0/s1
InChIKeyIANSTHOIGSGFRF-FFECJYOWSA-N
XLogP0.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 98532182
(1R,2S,3S,4S)-2-chlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 130883146
(1S,2R,4R)-3,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51411750
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
CID 141120203
2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 85377571
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 19102317
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529
(1R,2R,6R,7S)-5-oxotricyclo[5.2.1.02,6]dec-8-ene-2-carboxylic acid
CID 10921361
(1R,2S,3S,4R)-3-(benzylcarbamoyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98088700
dipropyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141186874
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid;silver
CID 58884336

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The IUPAC name of (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (CID 110172348) is (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The canonical SMILES for (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is NC[C@]12C3C=CC(C3)C1C2C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The InChIKey is IANSTHOIGSGFRF-FFECJYOWSA-N. The full InChI is InChI=1S/C10H13NO2/c11-4-10-6-2-1-5(3-6)7(10)8(10)9(12)13/h1-2,5-8H,3-4,11H2,(H,12,13)/t5?,6?,7?,8?,10-/m0/s1.
What are the key properties of (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is sourced from PubChem (CID 110172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).