(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid

C12H15NO2 — CID 21308199

IUPAC(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-8-7-11(13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-,11-/m1/s1
InChIKeyOASYHJXSVVGJIA-MWLCHTKSSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid

(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid (PubChem CID 21308199) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
PubChem CID21308199
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-8-7-11(13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-,11-/m1/s1
InChIKeyOASYHJXSVVGJIA-MWLCHTKSSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
CID 54593505
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078
(2S,3R)-3-(iodomethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid
CID 122513464
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid (CID 21308199) is (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid is C[C@H](c1ccccc1)N1CC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid?
The InChIKey is OASYHJXSVVGJIA-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-8-7-11(13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15)/t9-,11-/m1/s1.
What are the key properties of (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid?
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 21308199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).