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

C24H25NO5 — CID 171576184

IUPAC4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(OC2CCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO5/c26-23(27)22-12-16(30-15-6-5-7-15)13-25(22)24(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21-22H,5-7,12-14H2,(H,26,27)
InChIKeyLPUXGNPZXRXZIN-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.03
Rot. Bonds5

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

4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 171576184) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID171576184
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(OC2CCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO5/c26-23(27)22-12-16(30-15-6-5-7-15)13-25(22)24(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21-22H,5-7,12-14H2,(H,26,27)
InChIKeyLPUXGNPZXRXZIN-UHFFFAOYSA-N
XLogP4.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 177259586
(2S)-4-aminooxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 167431338
(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
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-2-carboxylic acid
CID 134224493
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyridin-2-yloxypyrrolidine-2-carboxylic acid
CID 169024987
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
CID 146080993
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(4-methoxycarbonylphenoxy)pyrrolidine-2-carboxylic acid
CID 171141691
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
(2S,4R)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 175753630
(2R,4S)-4-azido-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 98008180

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid (CID 171576184) is 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(OC2CCC2)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LPUXGNPZXRXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c26-23(27)22-12-16(30-15-6-5-7-15)13-25(22)24(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,15-16,21-22H,5-7,12-14H2,(H,26,27).
What are the key properties of 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid?
4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 171576184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).