(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C16H17NO2 — CID 865217

IUPAC(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1ccc2nc3c(c(C(=O)O)c2c1)C[C@@H](C)CC3
InChIInChI=1S/C16H17NO2/c1-9-3-5-13-11(7-9)15(16(18)19)12-8-10(2)4-6-14(12)17-13/h3,5,7,10H,4,6,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQRDDAUPPJRGXMR-JTQLQIEISA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds1

About (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 865217) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID865217
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCc1ccc2nc3c(c(C(=O)O)c2c1)C[C@@H](C)CC3
InChIInChI=1S/C16H17NO2/c1-9-3-5-13-11(7-9)15(16(18)19)12-8-10(2)4-6-14(12)17-13/h3,5,7,10H,4,6,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQRDDAUPPJRGXMR-JTQLQIEISA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 43180336
6-chloro-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462975
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
5,7-dibromo-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63462327
(2R)-7-[4-(cyclopropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667295
2,7-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 10179136
3,3,7-trimethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 79864557
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
2,8-dimethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 30079032
(2R)-7-[4-(3-ethoxypropylcarbamoyl)piperidin-1-yl]sulfonyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667303
(2R)-2-methyl-7-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 92667299

Frequently Asked Questions

What is the IUPAC name of (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 865217) is (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is Cc1ccc2nc3c(c(C(=O)O)c2c1)C[C@@H](C)CC3.
What is the InChIKey of (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is QRDDAUPPJRGXMR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-3-5-13-11(7-9)15(16(18)19)12-8-10(2)4-6-14(12)17-13/h3,5,7,10H,4,6,8H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
(2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,7-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 865217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).