3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid

C19H18O4 — CID 20477

IUPAC3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23)
InChIKeyHVIAEALBBMNFIW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.68
Rot. Bonds6

About 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid

3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid (PubChem CID 20477) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid.

Molecular Properties

Compound Name3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
PubChem CID20477
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23)
InChIKeyHVIAEALBBMNFIW-UHFFFAOYSA-N
XLogP3.68
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid?
The IUPAC name of 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid (CID 20477) is 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid.
What is the SMILES notation for 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid?
The canonical SMILES for 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid is O=C(O)CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid?
The InChIKey is HVIAEALBBMNFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-8H,9-12H2,(H,20,21)(H,22,23).
What are the key properties of 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid?
3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid has a molecular weight of 310.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-carboxyethyl)fluoren-9-yl]propanoic acid is sourced from PubChem (CID 20477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).