9-amino-5-methyl-9H-fluorene-2-carboxylic acid

C15H13NO2 — CID 82578547

IUPAC9-amino-5-methyl-9H-fluorene-2-carboxylic acid
SMILESCc1cccc2c1-c1ccc(C(=O)O)cc1C2N
InChIInChI=1S/C15H13NO2/c1-8-3-2-4-11-13(8)10-6-5-9(15(17)18)7-12(10)14(11)16/h2-7,14H,16H2,1H3,(H,17,18)
InChIKeyVGOXSBKRICENMP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.72
Rot. Bonds1

About 9-amino-5-methyl-9H-fluorene-2-carboxylic acid

9-amino-5-methyl-9H-fluorene-2-carboxylic acid (PubChem CID 82578547) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 9-amino-5-methyl-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-amino-5-methyl-9H-fluorene-2-carboxylic acid
PubChem CID82578547
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name9-amino-5-methyl-9H-fluorene-2-carboxylic acid
SMILESCc1cccc2c1-c1ccc(C(=O)O)cc1C2N
InChIInChI=1S/C15H13NO2/c1-8-3-2-4-11-13(8)10-6-5-9(15(17)18)7-12(10)14(11)16/h2-7,14H,16H2,1H3,(H,17,18)
InChIKeyVGOXSBKRICENMP-UHFFFAOYSA-N
XLogP2.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499
9-hydroxy-4-methyl-9H-fluorene-2-carboxylic acid
CID 138711693
1,6-dimethyl-6H-benzo[c]chromene-9-carboxylic acid
CID 91616035
9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
CID 82579038
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17(22),18,20,23,25,27-dodecaene-5,13,19-tricarboxylic acid
CID 132821383
(1R,2S,9R,10S)-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17,19,21,23,25,27-dodecaene-5,14-dicarboxylic acid
CID 11597449
3-methylbenzoic acid
CID 7418
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078
sodium;hydride;3-(hydroxymethyl)-4-(2-methylphenyl)benzoic acid
CID 173079346

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-methyl-9H-fluorene-2-carboxylic acid?
The IUPAC name of 9-amino-5-methyl-9H-fluorene-2-carboxylic acid (CID 82578547) is 9-amino-5-methyl-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 9-amino-5-methyl-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 9-amino-5-methyl-9H-fluorene-2-carboxylic acid is Cc1cccc2c1-c1ccc(C(=O)O)cc1C2N.
What is the InChIKey of 9-amino-5-methyl-9H-fluorene-2-carboxylic acid?
The InChIKey is VGOXSBKRICENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-8-3-2-4-11-13(8)10-6-5-9(15(17)18)7-12(10)14(11)16/h2-7,14H,16H2,1H3,(H,17,18).
What are the key properties of 9-amino-5-methyl-9H-fluorene-2-carboxylic acid?
9-amino-5-methyl-9H-fluorene-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-methyl-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 82578547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).