1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid

C19H17NO4 — CID 70153728

IUPAC1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCN1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c21-17(22)19(18(23)24)10-5-11-20(19)16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,21,22)(H,23,24)
InChIKeyOTQXHWKPDLRQMK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.76
Rot. Bonds3

About 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid

1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid (PubChem CID 70153728) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid
PubChem CID70153728
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)CCCN1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO4/c21-17(22)19(18(23)24)10-5-11-20(19)16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,21,22)(H,23,24)
InChIKeyOTQXHWKPDLRQMK-UHFFFAOYSA-N
XLogP2.76
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid (CID 70153728) is 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid is O=C(O)C1(C(=O)O)CCCN1C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid?
The InChIKey is OTQXHWKPDLRQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(22)19(18(23)24)10-5-11-20(19)16-14-8-3-1-6-12(14)13-7-2-4-9-15(13)16/h1-4,6-9,16H,5,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid?
1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)pyrrolidine-2,2-dicarboxylic acid is sourced from PubChem (CID 70153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).