2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

C24H19Cl2NO4 — CID 103664243

IUPAC2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C24H19Cl2NO4/c1-27(22(23(28)29)18-11-6-12-20(25)21(18)26)24(30)31-13-19-16-9-4-2-7-14(16)15-8-3-5-10-17(15)19/h2-12,19,22H,13H2,1H3,(H,28,29)
InChIKeyMUUFCMWYKZQEMA-UHFFFAOYSA-N
MW456.33 g/mol
LogP6.00
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid

2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (PubChem CID 103664243) has the molecular formula C24H19Cl2NO4 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
PubChem CID103664243
Molecular FormulaC24H19Cl2NO4
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C24H19Cl2NO4/c1-27(22(23(28)29)18-11-6-12-20(25)21(18)26)24(30)31-13-19-16-9-4-2-7-14(16)15-8-3-5-10-17(15)19/h2-12,19,22H,13H2,1H3,(H,28,29)
InChIKeyMUUFCMWYKZQEMA-UHFFFAOYSA-N
XLogP6.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
2-(5-chloro-1,3-thiazol-2-yl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 107124404
2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663760
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
(2S)-3-(4-chlorophenoxy)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 146562456
4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
2-cycloheptyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103695913
(2S)-2-[1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2,2,2-trifluoroethoxy]propanoic acid
CID 174232309

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid (CID 103664243) is 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
The InChIKey is MUUFCMWYKZQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO4/c1-27(22(23(28)29)18-11-6-12-20(25)21(18)26)24(30)31-13-19-16-9-4-2-7-14(16)15-8-3-5-10-17(15)19/h2-12,19,22H,13H2,1H3,(H,28,29).
What are the key properties of 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid?
2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid has a molecular weight of 456.33 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 103664243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).