1-(1-phenylethyl)azetidine-3-carboxylic acid

C12H15NO2 — CID 65071589

IUPAC1-(1-phenylethyl)azetidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CC(C(=O)O)C1
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-7-11(8-13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15)
InChIKeyFUPMJIGIAAGUPY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds3

About 1-(1-phenylethyl)azetidine-3-carboxylic acid

1-(1-phenylethyl)azetidine-3-carboxylic acid (PubChem CID 65071589) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-phenylethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylethyl)azetidine-3-carboxylic acid
PubChem CID65071589
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(1-phenylethyl)azetidine-3-carboxylic acid
SMILESCC(c1ccccc1)N1CC(C(=O)O)C1
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-7-11(8-13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15)
InChIKeyFUPMJIGIAAGUPY-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
1-[1-(3-chlorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65071836
1-[1-[4-(4-chlorophenyl)phenyl]ethyl]azetidine-3-carboxylic acid
CID 59451855
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
1-[1-(3-chlorophenyl)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122120999
1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1-phenylethyl)azetidine-3-carboxylic acid (CID 65071589) is 1-(1-phenylethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-phenylethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1-phenylethyl)azetidine-3-carboxylic acid is CC(c1ccccc1)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(1-phenylethyl)azetidine-3-carboxylic acid?
The InChIKey is FUPMJIGIAAGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-7-11(8-13)12(14)15/h2-6,9,11H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-(1-phenylethyl)azetidine-3-carboxylic acid?
1-(1-phenylethyl)azetidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 65071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).