(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid

C22H23NO4 — CID 134410067

IUPAC(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO4/c1-22(2)11-19(20(24)25)23(13-22)21(26)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyOUDJCOWHKHEGGK-LJQANCHMSA-N
MW365.43 g/mol
LogP4.12
Rot. Bonds3

About (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid

(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 134410067) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
PubChem CID134410067
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C22H23NO4/c1-22(2)11-19(20(24)25)23(13-22)21(26)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKeyOUDJCOWHKHEGGK-LJQANCHMSA-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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Related Compounds

CID 1549133
CID 1549133
CID 1549477
CID 1549477
CID 4308
CID 4308
CID 100106
CID 100106
CID 100115
CID 100115
CID 688217
CID 688217
CID 2724629
CID 2724629
CID 688135
CID 688135
CID 1549479
CID 1549479
CID 983042
CID 983042
CID 2756127
CID 2756127
CID 601361
CID 601361

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid (CID 134410067) is (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid is CC1(C)C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is OUDJCOWHKHEGGK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2)11-19(20(24)25)23(13-22)21(26)27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,18-19H,11-13H2,1-2H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-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 (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 134410067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).