2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid

C24H21NO6 — CID 56923969

IUPAC2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1OC
InChIInChI=1S/C24H21NO6/c1-29-19-11-17(23(26)27)21(25)20(22(19)30-2)24(28)31-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-11,18H,12,25H2,1-2H3,(H,26,27)
InChIKeyCBEMWMPQICXZAA-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.95
Rot. Bonds6

About 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid

2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid (PubChem CID 56923969) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
PubChem CID56923969
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(N)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1OC
InChIInChI=1S/C24H21NO6/c1-29-19-11-17(23(26)27)21(25)20(22(19)30-2)24(28)31-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-11,18H,12,25H2,1-2H3,(H,26,27)
InChIKeyCBEMWMPQICXZAA-UHFFFAOYSA-N
XLogP3.95
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-5-iodobenzoic acid
CID 56923965
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
CID 56923983
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-4,5-dimethoxybenzoic acid
CID 170835112
6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
CID 141092800
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(methylamino)benzoic acid
CID 142685185
3-(2,6-dichloro-3,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882305
2-[3-amino-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methyl-2-oxo-1-pyridinyl]acetic acid
CID 121493856
9H-fluoren-9-ylmethyl 2-amino-2-(2,4-dimethoxyphenyl)-2-phenylacetate
CID 141038963
3-(2-aminophenyl)-4,5-dimethoxybenzoic acid
CID 82038920
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid (CID 56923969) is 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid is COc1cc(C(=O)O)c(N)c(C(=O)OCC2c3ccccc3-c3ccccc32)c1OC.
What is the InChIKey of 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid?
The InChIKey is CBEMWMPQICXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-29-19-11-17(23(26)27)21(25)20(22(19)30-2)24(28)31-12-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-11,18H,12,25H2,1-2H3,(H,26,27).
What are the key properties of 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid?
2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid has a molecular weight of 419.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 56923969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).