(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid

C13H17NO2 — CID 54268826

IUPAC(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1CCCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m1/s1
InChIKeyRIRUGUYDZNNNIL-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.78
Rot. Bonds5

About (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid

(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid (PubChem CID 54268826) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid
PubChem CID54268826
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCN1CCCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m1/s1
InChIKeyRIRUGUYDZNNNIL-GFCCVEGCSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid (CID 54268826) is (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid is O=C(O)[C@H]1CCN1CCCc1ccccc1.
What is the InChIKey of (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid?
The InChIKey is RIRUGUYDZNNNIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12-8-10-14(12)9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid?
(2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-phenylpropyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 54268826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).