2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid

C18H19NO2 — CID 65061041

IUPAC2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C18H19NO2/c1-18(2,17(20)21)19(3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3,(H,20,21)
InChIKeyXEFHQDOFJACIMB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds3

About 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid

2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid (PubChem CID 65061041) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid
PubChem CID65061041
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C18H19NO2/c1-18(2,17(20)21)19(3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3,(H,20,21)
InChIKeyXEFHQDOFJACIMB-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid (CID 65061041) is 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid is CN(C1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O.
What is the InChIKey of 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is XEFHQDOFJACIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,17(20)21)19(3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3,(H,20,21).
What are the key properties of 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid?
2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-yl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).