(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid

C22H25NO3 — CID 175344502

IUPAC(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)[C@@](C)(CO)C1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c1-21(2)12-23(20(25)26)22(3,13-24)19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,24H,12-13H2,1-3H3,(H,25,26)/t19?,22-/m0/s1
InChIKeyZKHRCPLTEZXLLX-BPARTEKVSA-N
MW351.45 g/mol
LogP4.19
Rot. Bonds2

About (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid

(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid (PubChem CID 175344502) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid
PubChem CID175344502
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)[C@@](C)(CO)C1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c1-21(2)12-23(20(25)26)22(3,13-24)19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,24H,12-13H2,1-3H3,(H,25,26)/t19?,22-/m0/s1
InChIKeyZKHRCPLTEZXLLX-BPARTEKVSA-N
XLogP4.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid (CID 175344502) is (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid is CC1(C)CN(C(=O)O)[C@@](C)(CO)C1C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid?
The InChIKey is ZKHRCPLTEZXLLX-BPARTEKVSA-N. The full InChI is InChI=1S/C22H25NO3/c1-21(2)12-23(20(25)26)22(3,13-24)19(21)18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19,24H,12-13H2,1-3H3,(H,25,26)/t19?,22-/m0/s1.
What are the key properties of (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid?
(2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(9H-fluoren-9-yl)-2-(hydroxymethyl)-2,4,4-trimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175344502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).