1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate

C23H23NO5 — CID 69050064

IUPAC1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)C1C(O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23NO5/c1-2-13-28-22(26)21-20(25)11-12-24(21)23(27)29-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-21,25H,1,11-14H2
InChIKeyKGHKKXPMQAIVJO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.10
Rot. Bonds5

About 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate

1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 69050064) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID69050064
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)C1C(O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H23NO5/c1-2-13-28-22(26)21-20(25)11-12-24(21)23(27)29-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-21,25H,1,11-14H2
InChIKeyKGHKKXPMQAIVJO-UHFFFAOYSA-N
XLogP3.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidine-2-carboxylic acid
CID 171558951
(2S,3R)-3-benzyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 70065892
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066
(2S,3S)-3-cyclopentyloxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 155290191
9H-fluoren-9-ylmethyl (4S)-5-oxo-4-[(1-prop-2-enoxycarbonylpiperidin-4-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 169024984
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
(2S,3S)-3-(2-ethoxy-2-oxoethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71479659
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
1-O-(9H-fluoren-9-ylmethyl) 3-O-prop-2-enyl 2-amino-2-(iodomethyl)propanedioate
CID 175014630

Frequently Asked Questions

What is the IUPAC name of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate (CID 69050064) is 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate is C=CCOC(=O)C1C(O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is KGHKKXPMQAIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-2-13-28-22(26)21-20(25)11-12-24(21)23(27)29-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-21,25H,1,11-14H2.
What are the key properties of 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate?
1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(9H-fluoren-9-ylmethyl) 2-O-prop-2-enyl 3-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 69050064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).