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

C22H23NO4 — CID 122360737

IUPAC(2S)-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-/m0/s1
InChIKeyOUDJCOWHKHEGGK-IBGZPJMESA-N
MW365.43 g/mol
LogP4.12
Rot. Bonds3

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

(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 122360737) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
PubChem CID122360737
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2S)-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-/m0/s1
InChIKeyOUDJCOWHKHEGGK-IBGZPJMESA-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

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-Fmoc-L-isoleucine
CID 2724629
Fmoc-L-citrulline
CID 2756127
Fmoc-Pro-OH
CID 688135
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoic acid
CID 1549479
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 983042
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 853016

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid (CID 122360737) is (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-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 (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is OUDJCOWHKHEGGK-IBGZPJMESA-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-/m0/s1.
What are the key properties of (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122360737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).