2-phenyl-2-(3-propylazetidin-1-yl)acetic acid

C14H19NO2 — CID 79687022

IUPAC2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
SMILESCCCC1CN(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-6-11-9-15(10-11)13(14(16)17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,16,17)
InChIKeyBONICXFPMVCODV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds5

About 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid

2-phenyl-2-(3-propylazetidin-1-yl)acetic acid (PubChem CID 79687022) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
PubChem CID79687022
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
SMILESCCCC1CN(C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-2-6-11-9-15(10-11)13(14(16)17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,16,17)
InChIKeyBONICXFPMVCODV-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid (CID 79687022) is 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid is CCCC1CN(C(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid?
The InChIKey is BONICXFPMVCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-11-9-15(10-11)13(14(16)17)12-7-4-3-5-8-12/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid?
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-propylazetidin-1-yl)acetic acid is sourced from PubChem (CID 79687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).