6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C19H24N2O4 — CID 166278049

IUPAC6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)N1CC(OCc3ccccc3)C1)CC2
InChIInChI=1S/C19H24N2O4/c22-17(23)16-10-19(16)6-8-20(9-7-19)18(24)21-11-15(12-21)25-13-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23)
InChIKeyGZYGWYXAKSJETI-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.19
Rot. Bonds4

About 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 166278049) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID166278049
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)N1CC(OCc3ccccc3)C1)CC2
InChIInChI=1S/C19H24N2O4/c22-17(23)16-10-19(16)6-8-20(9-7-19)18(24)21-11-15(12-21)25-13-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23)
InChIKeyGZYGWYXAKSJETI-UHFFFAOYSA-N
XLogP2.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 166278051
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
CID 166278055
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
6-[2-(phenoxymethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175545
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394324
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638
6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 166278049) is 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)N1CC(OCc3ccccc3)C1)CC2.
What is the InChIKey of 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is GZYGWYXAKSJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(23)16-10-19(16)6-8-20(9-7-19)18(24)21-11-15(12-21)25-13-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23).
What are the key properties of 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 166278049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).