2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid

C11H21NO2 — CID 64618314

IUPAC2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNFCGBSSUAIALQI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid

2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid (PubChem CID 64618314) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
PubChem CID64618314
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyNFCGBSSUAIALQI-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid (CID 64618314) is 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid is CC(C)(C)CCN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid?
The InChIKey is NFCGBSSUAIALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)4-5-12-7-9(8-12)6-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid?
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).