2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid

C12H23NO2 — CID 79801551

IUPAC2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-6-12(5,10(14)15)13-7-9(8-13)11(2,3)4/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyWYHGKSPJRXBWNT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds3

About 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid

2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid (PubChem CID 79801551) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
PubChem CID79801551
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-6-12(5,10(14)15)13-7-9(8-13)11(2,3)4/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyWYHGKSPJRXBWNT-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid?
The IUPAC name of 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid (CID 79801551) is 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid?
The canonical SMILES for 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid is CCC(C)(C(=O)O)N1CC(C(C)(C)C)C1.
What is the InChIKey of 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid?
The InChIKey is WYHGKSPJRXBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-12(5,10(14)15)13-7-9(8-13)11(2,3)4/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid?
2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid is sourced from PubChem (CID 79801551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).