3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid

C24H25NO6 — CID 69337839

IUPAC3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid
SMILESCC(C)(C)C1C(C(=O)O)NC1(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO6/c1-23(2,3)19-18(20(26)27)25-24(19,21(28)29)22(30)31-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-19,25H,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyAEEYGINZULCNAK-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.88
Rot. Bonds5

About 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid

3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid (PubChem CID 69337839) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid
PubChem CID69337839
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid
SMILESCC(C)(C)C1C(C(=O)O)NC1(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO6/c1-23(2,3)19-18(20(26)27)25-24(19,21(28)29)22(30)31-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-19,25H,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyAEEYGINZULCNAK-UHFFFAOYSA-N
XLogP2.88
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl 3-methyldithiirane-3-carboxylate
CID 58932762
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid
CID 160737681
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
(2S)-3-(9H-fluoren-9-ylmethoxy)-2-methyl-3-oxo-2-(N-phenylanilino)propanoic acid
CID 68509314
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
CID 69359350

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid?
The IUPAC name of 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid (CID 69337839) is 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid?
The canonical SMILES for 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid is CC(C)(C)C1C(C(=O)O)NC1(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid?
The InChIKey is AEEYGINZULCNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-23(2,3)19-18(20(26)27)25-24(19,21(28)29)22(30)31-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-19,25H,12H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid?
3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2,4-dicarboxylic acid is sourced from PubChem (CID 69337839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).