2-(3,3-dimethylazetidin-1-yl)acetic acid

C7H13NO2 — CID 79686403

IUPAC2-(3,3-dimethylazetidin-1-yl)acetic acid
SMILESCC1(C)CN(CC(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-7(2)4-8(5-7)3-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyMLZZBHAHQPCMSP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds2

About 2-(3,3-dimethylazetidin-1-yl)acetic acid

2-(3,3-dimethylazetidin-1-yl)acetic acid (PubChem CID 79686403) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)acetic acid
PubChem CID79686403
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(3,3-dimethylazetidin-1-yl)acetic acid
SMILESCC1(C)CN(CC(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-7(2)4-8(5-7)3-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyMLZZBHAHQPCMSP-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)acetic acid (CID 79686403) is 2-(3,3-dimethylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)acetic acid is CC1(C)CN(CC(=O)O)C1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)acetic acid?
The InChIKey is MLZZBHAHQPCMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-8(5-7)3-6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)acetic acid?
2-(3,3-dimethylazetidin-1-yl)acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)acetic acid is sourced from PubChem (CID 79686403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).