2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid

C14H19NO2 — CID 65069636

IUPAC2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1C(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-13(10)11(2)15-8-12(9-15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3,(H,16,17)
InChIKeyNSXRPMDXAOFMSX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid

2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid (PubChem CID 65069636) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
PubChem CID65069636
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1C(C)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-13(10)11(2)15-8-12(9-15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3,(H,16,17)
InChIKeyNSXRPMDXAOFMSX-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2-hydroxyphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069827
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
CID 65069833
3-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65071978
2-[1-[1-(5-bromo-2-fluorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 82973801
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
(3aR,6aS)-5-[1-(2-methylphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042199
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid (CID 65069636) is 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid is Cc1ccccc1C(C)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is NSXRPMDXAOFMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-3-4-6-13(10)11(2)15-8-12(9-15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid?
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).