1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid

C28H25NO7 — CID 171141691

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(OC2CC(C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C28H25NO7/c1-34-27(32)17-10-12-18(13-11-17)36-19-14-25(26(30)31)29(15-19)28(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24-25H,14-16H2,1H3,(H,30,31)
InChIKeyGPXVFFZIYVIDSR-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.33
Rot. Bonds6

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 171141691) has the molecular formula C28H25NO7 and a molecular weight of 487.51 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
PubChem CID171141691
Molecular FormulaC28H25NO7
Molecular Weight487.51 g/mol
Exact Mass487.16
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(OC2CC(C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1
InChIInChI=1S/C28H25NO7/c1-34-27(32)17-10-12-18(13-11-17)36-19-14-25(26(30)31)29(15-19)28(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24-25H,14-16H2,1H3,(H,30,31)
InChIKeyGPXVFFZIYVIDSR-UHFFFAOYSA-N
XLogP4.33
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-aminooxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 167431338
4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 171576184
(2S)-4-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 177259586
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
CID 169024987
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
CID 146080993
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-2-carboxylic acid
CID 134224493
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-carbonochloridoyloxypyrrolidine-1,2-dicarboxylate
CID 10906114
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1,2-dicarboxylate
CID 153296870
(2R,4R)-4-(4-ethoxycarbonylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 98006996

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid (CID 171141691) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid is COC(=O)c1ccc(OC2CC(C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is GPXVFFZIYVIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO7/c1-34-27(32)17-10-12-18(13-11-17)36-19-14-25(26(30)31)29(15-19)28(33)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24-25H,14-16H2,1H3,(H,30,31).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 487.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 171141691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).