1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid

C22H23NO4 — CID 74788892

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1C(=O)O
InChIInChI=1S/C22H23NO4/c1-22(2)11-12-23(19(22)20(24)25)21(26)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)
InChIKeyHXTFRGDUGKDRBV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.12
Rot. Bonds3

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 74788892) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid
PubChem CID74788892
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1C(=O)O
InChIInChI=1S/C22H23NO4/c1-22(2)11-12-23(19(22)20(24)25)21(26)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)
InChIKeyHXTFRGDUGKDRBV-UHFFFAOYSA-N
XLogP4.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid (CID 74788892) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid is CC1(C)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1C(=O)O.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is HXTFRGDUGKDRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2)11-12-23(19(22)20(24)25)21(26)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 74788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).