2-(1-benzhydrylazetidin-3-yl)acetic acid

C18H19NO2 — CID 65069335

IUPAC2-(1-benzhydrylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-17(21)11-14-12-19(13-14)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,20,21)
InChIKeyVVSNSDCDDYYSOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.18
Rot. Bonds5

About 2-(1-benzhydrylazetidin-3-yl)acetic acid

2-(1-benzhydrylazetidin-3-yl)acetic acid (PubChem CID 65069335) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-benzhydrylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzhydrylazetidin-3-yl)acetic acid
PubChem CID65069335
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(1-benzhydrylazetidin-3-yl)acetic acid
SMILESO=C(O)CC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-17(21)11-14-12-19(13-14)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,20,21)
InChIKeyVVSNSDCDDYYSOI-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydrylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-benzhydrylazetidin-3-yl)acetic acid (CID 65069335) is 2-(1-benzhydrylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzhydrylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzhydrylazetidin-3-yl)acetic acid is O=C(O)CC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-benzhydrylazetidin-3-yl)acetic acid?
The InChIKey is VVSNSDCDDYYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17(21)11-14-12-19(13-14)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,20,21).
What are the key properties of 2-(1-benzhydrylazetidin-3-yl)acetic acid?
2-(1-benzhydrylazetidin-3-yl)acetic acid has a molecular weight of 281.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydrylazetidin-3-yl)acetic acid is sourced from PubChem (CID 65069335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).