2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid

C23H19NO4 — CID 22569037

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)O
InChIInChI=1S/C23H19NO4/c1-14-7-6-12-20(21(14)22(25)26)24-23(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-12,19H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyGXUAWDMYWAUCOJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.05
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid (PubChem CID 22569037) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid
PubChem CID22569037
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)O
InChIInChI=1S/C23H19NO4/c1-14-7-6-12-20(21(14)22(25)26)24-23(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-12,19H,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyGXUAWDMYWAUCOJ-UHFFFAOYSA-N
XLogP5.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 978386
2-[3-[4-(2-Methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
2-({3-[(2-Methylbenzoyl)amino]benzoyl}amino)benzoic acid
CID 2194279
3-((tert-Butoxycarbonyl)amino)-2-naphthoic acid
CID 17040108
2-[(2,2-diphenylacetyl)amino]benzoic Acid
CID 4044373
2-[([1,1'-Biphenyl]-3-yl)amino]benzoic acid
CID 44521007
2'-[(2-Carboxyphenyl)carbamoyl]biphenyl-2-carboxylic acid
CID 1365358
2-Methyl-3-[({2-[(phenylcarbonyl)amino]phenyl}carbonyl)amino]benzoic acid
CID 1370499
Methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate
CID 11639019
2-(3-Methyl-2-phenylanilino)benzoic acid
CID 156013085
N-(9H-fluoren-9-ylethoxycarbonyl)-4-aminobenzoic acid
CID 9885863
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 2756082

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid (CID 22569037) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid is Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid?
The InChIKey is GXUAWDMYWAUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-14-7-6-12-20(21(14)22(25)26)24-23(27)28-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-12,19H,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid has a molecular weight of 373.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methylbenzoic acid is sourced from PubChem (CID 22569037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).