(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid

C21H21NO4 — CID 75534970

IUPAC(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c1-21(19(23)24)11-6-12-22(21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyVOQFOIAFEGUNRZ-OAQYLSRUSA-N
MW351.40 g/mol
LogP3.87
Rot. Bonds3

About (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid

(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 75534970) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID75534970
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c1-21(19(23)24)11-6-12-22(21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyVOQFOIAFEGUNRZ-OAQYLSRUSA-N
XLogP3.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid (CID 75534970) is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid is C[C@]1(C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is VOQFOIAFEGUNRZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NO4/c1-21(19(23)24)11-6-12-22(21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid?
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 75534970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).