2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid

C14H18ClNO2 — CID 114081581

IUPAC2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
SMILESCC(Cc1ccc(Cl)cc1)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H18ClNO2/c1-10(6-11-2-4-13(15)5-3-11)16-8-12(9-16)7-14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyPREPKPHAXOASQM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid

2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid (PubChem CID 114081581) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
PubChem CID114081581
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
SMILESCC(Cc1ccc(Cl)cc1)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H18ClNO2/c1-10(6-11-2-4-13(15)5-3-11)16-8-12(9-16)7-14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyPREPKPHAXOASQM-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid (CID 114081581) is 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid is CC(Cc1ccc(Cl)cc1)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid?
The InChIKey is PREPKPHAXOASQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(6-11-2-4-13(15)5-3-11)16-8-12(9-16)7-14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid?
2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid has a molecular weight of 267.76 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 114081581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).