7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid

C12H19NO2 — CID 123454961

IUPAC7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid
SMILESNC1C2CCC3(C(=O)O)CC(C2)CC1C3
InChIInChI=1S/C12H19NO2/c13-10-8-1-2-12(11(14)15)5-7(3-8)4-9(10)6-12/h7-10H,1-6,13H2,(H,14,15)
InChIKeyHROKDXWFGONNLF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds1

About 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid

7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid (PubChem CID 123454961) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid.

Molecular Properties

Compound Name7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid
PubChem CID123454961
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid
SMILESNC1C2CCC3(C(=O)O)CC(C2)CC1C3
InChIInChI=1S/C12H19NO2/c13-10-8-1-2-12(11(14)15)5-7(3-8)4-9(10)6-12/h7-10H,1-6,13H2,(H,14,15)
InChIKeyHROKDXWFGONNLF-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
4-aminoadamantane-1-carboxylic acid;4-oxoadamantane-1-carboxylic acid
CID 159203089
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
4-methoxyadamantane-1-carboxylic acid
CID 12598764
4-isocyanoadamantane-1-carboxylic acid
CID 87472611
4-formamidoadamantane-1-carboxylic acid
CID 87081591
acetic acid;adamantane-1-carboxylic acid
CID 67530595
methyl tricyclo[5.3.1.04,9]undecane-1-carboxylate
CID 134204201
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676

Frequently Asked Questions

What is the IUPAC name of 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid?
The IUPAC name of 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid (CID 123454961) is 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid.
What is the SMILES notation for 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid?
The canonical SMILES for 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid is NC1C2CCC3(C(=O)O)CC(C2)CC1C3.
What is the InChIKey of 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid?
The InChIKey is HROKDXWFGONNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10-8-1-2-12(11(14)15)5-7(3-8)4-9(10)6-12/h7-10H,1-6,13H2,(H,14,15).
What are the key properties of 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid?
7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminotricyclo[4.3.1.13,8]undecane-3-carboxylic acid is sourced from PubChem (CID 123454961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).