5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid

C23H23NO4 — CID 138991406

IUPAC5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1
InChIInChI=1S/C23H23NO4/c25-21(26)15-12-23(10-5-11-23)24(13-15)22(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,25,26)
InChIKeyOAWXXLDWWRNAHL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.26
Rot. Bonds3

About 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid

5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid (PubChem CID 138991406) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
PubChem CID138991406
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1
InChIInChI=1S/C23H23NO4/c25-21(26)15-12-23(10-5-11-23)24(13-15)22(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,25,26)
InChIKeyOAWXXLDWWRNAHL-UHFFFAOYSA-N
XLogP4.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid with MolForge

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Related Compounds

2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-7-oxa-4-azaspiro[2.5]octan-6-yl]acetic acid
CID 146155351
9H-fluoren-9-ylmethyl 8-oxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574221
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 165494887
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 167724986
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
CID 169145121
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid (CID 138991406) is 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid is O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2(CCC2)C1.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is OAWXXLDWWRNAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-21(26)15-12-23(10-5-11-23)24(13-15)22(27)28-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,25,26).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid?
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 138991406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).