3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid

C19H21NO2 — CID 69412355

IUPAC3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2/c1-20(13-11-19(21)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,21,22)
InChIKeyADJZYRXTOBMTOW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.60
Rot. Bonds6

About 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid

3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid (PubChem CID 69412355) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
PubChem CID69412355
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2/c1-20(13-11-19(21)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,21,22)
InChIKeyADJZYRXTOBMTOW-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
CID 87822203
3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
3-[methyl(9H-xanthen-9-yl)amino]propanoic acid
CID 65063528
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
CID 67744441
6-[4-[3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl]piperazin-1-yl]-2-methylpyridazin-3-one;hydrochloride
CID 44565065

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid?
The IUPAC name of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid (CID 69412355) is 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid is CN(CCC(=O)O)CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid?
The InChIKey is ADJZYRXTOBMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(13-11-19(21)22)12-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid?
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 69412355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).