(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid

C12H15NO2 — CID 20637841

IUPAC(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1CCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)11-7-9-13(11)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyUXXKTOACZVPMFC-NSHDSACASA-N
MW205.26 g/mol
LogP1.39
Rot. Bonds4

About (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid

(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid (PubChem CID 20637841) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
PubChem CID20637841
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCN1CCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)11-7-9-13(11)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyUXXKTOACZVPMFC-NSHDSACASA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
(2R,6S)-1-(2-phenylethyl)piperidine-2,6-dicarboxylic acid
CID 174568694
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
1-(2-benzylsulfanylethyl)piperidine-2-carboxylic acid
CID 122040507
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
4-methyl-1-[2-(4-nitrophenyl)ethyl]piperidine-2-carboxylic acid
CID 114426826
[(2R,3R,4S)-2,3-dimethyl-1-(2-phenylethyl)piperidin-4-yl] acetate
CID 715185

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid (CID 20637841) is (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid is O=C(O)[C@@H]1CCN1CCc1ccccc1.
What is the InChIKey of (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid?
The InChIKey is UXXKTOACZVPMFC-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)11-7-9-13(11)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid?
(2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylethyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 20637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).