1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid

C14H17NO2 — CID 84694667

IUPAC1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2NC2CCCCC21
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,12-13,15H,2,4,6,8H2,(H,16,17)
InChIKeyADJWWLDHXJMUSU-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.84
Rot. Bonds1

About 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid

1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid (PubChem CID 84694667) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
PubChem CID84694667
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2NC2CCCCC21
InChIInChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,12-13,15H,2,4,6,8H2,(H,16,17)
InChIKeyADJWWLDHXJMUSU-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
CID 115008277
2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007875
N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
CID 86810383
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
3-[(3aR,9aR)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl]-2-(cyclopropylmethylamino)-4,5-dioxo-5-phenylpent-2-enoic acid
CID 90117266
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
2-[(3aR,9aR)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl]-2-amino-4,5-dioxo-6-phenylhexanoic acid
CID 90117348
(2R)-2-[2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl(cyclopropyl)carbamoyl]oxypropanoic acid
CID 71136133
2-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 11031290
2-(2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-amino-4,5-dioxo-7-phenylheptanoic acid
CID 90117323
1-(2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-1-cyclopropyl-3-methyl-3-(2-oxoethyl)urea
CID 89309262
2-[(3aR,9aR)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl]-2-amino-5-(2,4-difluorophenyl)-4,5-dioxopentanoic acid
CID 90117180

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The IUPAC name of 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid (CID 84694667) is 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid.
What is the SMILES notation for 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The canonical SMILES for 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid is O=C(O)C1c2ccccc2NC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
The InChIKey is ADJWWLDHXJMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7,10,12-13,15H,2,4,6,8H2,(H,16,17).
What are the key properties of 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid?
1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid is sourced from PubChem (CID 84694667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).