1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid

C15H21NO2 — CID 122046852

IUPAC1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
SMILESCC(C)c1ccc(CCN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)13-5-3-12(4-6-13)7-8-16-9-14(10-16)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyHNDZXSVLWLABEO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid

1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid (PubChem CID 122046852) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
PubChem CID122046852
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
SMILESCC(C)c1ccc(CCN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)13-5-3-12(4-6-13)7-8-16-9-14(10-16)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18)
InChIKeyHNDZXSVLWLABEO-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
CID 122043248
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
methanesulfonic acid;1-[[4-[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 174740149
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
4-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 91648682
4-chloro-1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 168687323
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid (CID 122046852) is 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid is CC(C)c1ccc(CCN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid?
The InChIKey is HNDZXSVLWLABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)13-5-3-12(4-6-13)7-8-16-9-14(10-16)15(17)18/h3-6,11,14H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid?
1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 122046852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).