2-[(9-phenylfluoren-9-yl)amino]propanoic acid

C22H19NO2 — CID 22116668

IUPAC2-[(9-phenylfluoren-9-yl)amino]propanoic acid
SMILESCC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H19NO2/c1-15(21(24)25)23-22(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h2-15,23H,1H3,(H,24,25)
InChIKeyBIPTVPZFIZKZRT-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.02
Rot. Bonds4

About 2-[(9-phenylfluoren-9-yl)amino]propanoic acid

2-[(9-phenylfluoren-9-yl)amino]propanoic acid (PubChem CID 22116668) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(9-phenylfluoren-9-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(9-phenylfluoren-9-yl)amino]propanoic acid
PubChem CID22116668
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-[(9-phenylfluoren-9-yl)amino]propanoic acid
SMILESCC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H19NO2/c1-15(21(24)25)23-22(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h2-15,23H,1H3,(H,24,25)
InChIKeyBIPTVPZFIZKZRT-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The IUPAC name of 2-[(9-phenylfluoren-9-yl)amino]propanoic acid (CID 22116668) is 2-[(9-phenylfluoren-9-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The canonical SMILES for 2-[(9-phenylfluoren-9-yl)amino]propanoic acid is CC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
The InChIKey is BIPTVPZFIZKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15(21(24)25)23-22(16-9-3-2-4-10-16)19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h2-15,23H,1H3,(H,24,25).
What are the key properties of 2-[(9-phenylfluoren-9-yl)amino]propanoic acid?
2-[(9-phenylfluoren-9-yl)amino]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-phenylfluoren-9-yl)amino]propanoic acid is sourced from PubChem (CID 22116668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).