2-(1-acetylazetidin-2-yl)acetic acid

C7H11NO3 — CID 45086097

IUPAC2-(1-acetylazetidin-2-yl)acetic acid
SMILESCC(=O)N1CCC1CC(=O)O
InChIInChI=1S/C7H11NO3/c1-5(9)8-3-2-6(8)4-7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyZLRFNLOISZUNCD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds2

About 2-(1-acetylazetidin-2-yl)acetic acid

2-(1-acetylazetidin-2-yl)acetic acid (PubChem CID 45086097) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(1-acetylazetidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetylazetidin-2-yl)acetic acid
PubChem CID45086097
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(1-acetylazetidin-2-yl)acetic acid
SMILESCC(=O)N1CCC1CC(=O)O
InChIInChI=1S/C7H11NO3/c1-5(9)8-3-2-6(8)4-7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyZLRFNLOISZUNCD-UHFFFAOYSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylazetidin-2-yl)acetic acid?
The IUPAC name of 2-(1-acetylazetidin-2-yl)acetic acid (CID 45086097) is 2-(1-acetylazetidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-acetylazetidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-acetylazetidin-2-yl)acetic acid is CC(=O)N1CCC1CC(=O)O.
What is the InChIKey of 2-(1-acetylazetidin-2-yl)acetic acid?
The InChIKey is ZLRFNLOISZUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(8)4-7(10)11/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(1-acetylazetidin-2-yl)acetic acid?
2-(1-acetylazetidin-2-yl)acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylazetidin-2-yl)acetic acid is sourced from PubChem (CID 45086097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).