(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid

C25H27NO5 — CID 155290191

IUPAC(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](OC2CCCC2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H27NO5/c27-24(28)23-22(31-16-7-1-2-8-16)13-14-26(23)25(29)30-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21-23H,1-2,7-8,13-15H2,(H,27,28)/t22-,23-/m0/s1
InChIKeyWGILNDLVVGZFCL-GOTSBHOMSA-N
MW421.49 g/mol
LogP4.42
Rot. Bonds5

About (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid

(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 155290191) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID155290191
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](OC2CCCC2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H27NO5/c27-24(28)23-22(31-16-7-1-2-8-16)13-14-26(23)25(29)30-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21-23H,1-2,7-8,13-15H2,(H,27,28)/t22-,23-/m0/s1
InChIKeyWGILNDLVVGZFCL-GOTSBHOMSA-N
XLogP4.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 155290191) is (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1[C@@H](OC2CCCC2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WGILNDLVVGZFCL-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H27NO5/c27-24(28)23-22(31-16-7-1-2-8-16)13-14-26(23)25(29)30-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21-23H,1-2,7-8,13-15H2,(H,27,28)/t22-,23-/m0/s1.
What are the key properties of (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 421.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155290191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).