(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid

C25H22N2O5 — CID 169024987

IUPAC(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Oc2ccccn2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22N2O5/c28-24(29)22-13-16(32-23-11-5-6-12-26-23)14-27(22)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,16,21-22H,13-15H2,(H,28,29)/t16-,22+/m1/s1
InChIKeyTVVIYCPTDJUNQU-ZHRRBRCNSA-N
MW430.46 g/mol
LogP3.94
Rot. Bonds5

About (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid (PubChem CID 169024987) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
PubChem CID169024987
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Oc2ccccn2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22N2O5/c28-24(29)22-13-16(32-23-11-5-6-12-26-23)14-27(22)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,16,21-22H,13-15H2,(H,28,29)/t16-,22+/m1/s1
InChIKeyTVVIYCPTDJUNQU-ZHRRBRCNSA-N
XLogP3.94
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
CID 171141691
(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-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 167995411
(2R,4S)-4-azido-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 98008180
butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate
CID 175983996

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid (CID 169024987) is (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](Oc2ccccn2)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is TVVIYCPTDJUNQU-ZHRRBRCNSA-N. The full InChI is InChI=1S/C25H22N2O5/c28-24(29)22-13-16(32-23-11-5-6-12-26-23)14-27(22)25(30)31-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-12,16,21-22H,13-15H2,(H,28,29)/t16-,22+/m1/s1.
What are the key properties of (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 430.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 169024987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).