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

C10H19NO2 — CID 166719252

IUPAC2-(3-ethyl-3-propylazetidin-1-yl)acetic acid
SMILESCCCC1(CC)CN(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-5-10(4-2)7-11(8-10)6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyQIWMVXSDLBRGPI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds5

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

2-(3-ethyl-3-propylazetidin-1-yl)acetic acid (PubChem CID 166719252) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-3-propylazetidin-1-yl)acetic acid
PubChem CID166719252
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3-ethyl-3-propylazetidin-1-yl)acetic acid
SMILESCCCC1(CC)CN(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-5-10(4-2)7-11(8-10)6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyQIWMVXSDLBRGPI-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid (CID 166719252) is 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid is CCCC1(CC)CN(CC(=O)O)C1.
What is the InChIKey of 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid?
The InChIKey is QIWMVXSDLBRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10(4-2)7-11(8-10)6-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid?
2-(3-ethyl-3-propylazetidin-1-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-propylazetidin-1-yl)acetic acid is sourced from PubChem (CID 166719252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).