(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid

C15H18N2O4 — CID 166278055

IUPAC(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1C(=O)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-14(19)13-6-7-17(13)15(20)16-8-12(9-16)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)/t13-/m0/s1
InChIKeyFFXXTFSPLCJIDA-ZDUSSCGKSA-N
MW290.32 g/mol
LogP1.17
Rot. Bonds4

About (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid

(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid (PubChem CID 166278055) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
PubChem CID166278055
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1C(=O)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O4/c18-14(19)13-6-7-17(13)15(20)16-8-12(9-16)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)/t13-/m0/s1
InChIKeyFFXXTFSPLCJIDA-ZDUSSCGKSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-phenylmethoxyazetidine-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 166278049
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
1-[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl]azetidine-2-carboxylic acid
CID 70453484
3-methoxy-1-(3-phenylmethoxyazetidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 166278051
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
3-phenylmethoxypyrrolidine-1,2-dicarboxylic acid
CID 175801457
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid (CID 166278055) is (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1C(=O)N1CC(OCc2ccccc2)C1.
What is the InChIKey of (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid?
The InChIKey is FFXXTFSPLCJIDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)13-6-7-17(13)15(20)16-8-12(9-16)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid?
(2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-phenylmethoxyazetidine-1-carbonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 166278055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).