3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid

C14H20N2O2 — CID 68593627

IUPAC3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid
SMILESCc1ccccc1C(C)N(C)C1CN(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-6-4-5-7-13(10)11(2)15(3)12-8-16(9-12)14(17)18/h4-7,11-12H,8-9H2,1-3H3,(H,17,18)
InChIKeyUGPKVRXWJZUUAG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds3

About 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid

3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid (PubChem CID 68593627) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid
PubChem CID68593627
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid
SMILESCc1ccccc1C(C)N(C)C1CN(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-6-4-5-7-13(10)11(2)15(3)12-8-16(9-12)14(17)18/h4-7,11-12H,8-9H2,1-3H3,(H,17,18)
InChIKeyUGPKVRXWJZUUAG-UHFFFAOYSA-N
XLogP2.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid?
The IUPAC name of 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid (CID 68593627) is 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid is Cc1ccccc1C(C)N(C)C1CN(C(=O)O)C1.
What is the InChIKey of 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid?
The InChIKey is UGPKVRXWJZUUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-4-5-7-13(10)11(2)15(3)12-8-16(9-12)14(17)18/h4-7,11-12H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid?
3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid is sourced from PubChem (CID 68593627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).