3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one

C13H17NO3 — CID 135122861

IUPAC3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one
SMILESO=C1C(CO)CN1CCOCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-12-8-14(13(12)16)6-7-17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyCRJCXQPZVHJAAV-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.65
Rot. Bonds6

About 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one

3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one (PubChem CID 135122861) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one
PubChem CID135122861
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one
SMILESO=C1C(CO)CN1CCOCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-12-8-14(13(12)16)6-7-17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyCRJCXQPZVHJAAV-UHFFFAOYSA-N
XLogP0.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949
4-ethynyl-1-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 168501625
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
CID 53230988
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
2,4-dioxo-3-(2-phenylmethoxyethyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 22987904
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
(6S,9aS)-N,6-dibenzyl-2-methyl-4,7-dioxo-8-(2-phenylmethoxyethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 58889110
(3R)-3-benzyl-1-(2-methoxyethyl)-4-(2-phenylmethoxyethyl)piperazine-2,5-dione;formic acid
CID 166598382
3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
CID 134504603
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one (CID 135122861) is 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one is O=C1C(CO)CN1CCOCc1ccccc1.
What is the InChIKey of 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one?
The InChIKey is CRJCXQPZVHJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-12-8-14(13(12)16)6-7-17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2.
What are the key properties of 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one?
3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(2-phenylmethoxyethyl)azetidin-2-one is sourced from PubChem (CID 135122861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).