2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid

C23H19NO4 — CID 56923983

IUPAC2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H19NO4/c1-24-14-10-11-19(22(25)26)20(12-14)23(27)28-13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21,24H,13H2,1H3,(H,25,26)
InChIKeyZIBGUADVFAGOLW-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.40
Rot. Bonds5

About 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid

2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid (PubChem CID 56923983) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
PubChem CID56923983
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C23H19NO4/c1-24-14-10-11-19(22(25)26)20(12-14)23(27)28-13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21,24H,13H2,1H3,(H,25,26)
InChIKeyZIBGUADVFAGOLW-UHFFFAOYSA-N
XLogP4.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-5-iodobenzoic acid
CID 56923965
6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
CID 141092800
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(methylamino)benzoic acid
CID 142685185
4-(diethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 165492389
2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
CID 56923969
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 121493856
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid (CID 56923983) is 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid is CNc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid?
The InChIKey is ZIBGUADVFAGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-24-14-10-11-19(22(25)26)20(12-14)23(27)28-13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-12,21,24H,13H2,1H3,(H,25,26).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid?
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid has a molecular weight of 373.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid is sourced from PubChem (CID 56923983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).