(2R)-2-(9H-fluoren-9-yl)butanedioic acid

C17H14O4 — CID 3246059

IUPAC(2R)-2-(9H-fluoren-9-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O4/c18-15(19)9-14(17(20)21)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyHGTCLOVEROWTJE-CQSZACIVSA-N
MW282.30 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-(9H-fluoren-9-yl)butanedioic acid

(2R)-2-(9H-fluoren-9-yl)butanedioic acid (PubChem CID 3246059) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2R)-2-(9H-fluoren-9-yl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(9H-fluoren-9-yl)butanedioic acid
PubChem CID3246059
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(2R)-2-(9H-fluoren-9-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14O4/c18-15(19)9-14(17(20)21)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyHGTCLOVEROWTJE-CQSZACIVSA-N
XLogP2.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9H-fluoren-9-yl)butanedioic acid?
The IUPAC name of (2R)-2-(9H-fluoren-9-yl)butanedioic acid (CID 3246059) is (2R)-2-(9H-fluoren-9-yl)butanedioic acid.
What is the SMILES notation for (2R)-2-(9H-fluoren-9-yl)butanedioic acid?
The canonical SMILES for (2R)-2-(9H-fluoren-9-yl)butanedioic acid is O=C(O)C[C@@H](C(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-2-(9H-fluoren-9-yl)butanedioic acid?
The InChIKey is HGTCLOVEROWTJE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14O4/c18-15(19)9-14(17(20)21)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(9H-fluoren-9-yl)butanedioic acid?
(2R)-2-(9H-fluoren-9-yl)butanedioic acid has a molecular weight of 282.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9H-fluoren-9-yl)butanedioic acid is sourced from PubChem (CID 3246059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).