3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid

C11H21NO2 — CID 79687679

IUPAC3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
SMILESCC(C)C1CN(C(C(=O)O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9-5-12(6-9)10(8(3)4)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyRQSJXUJPZFEMTR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid

3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid (PubChem CID 79687679) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
PubChem CID79687679
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
SMILESCC(C)C1CN(C(C(=O)O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9-5-12(6-9)10(8(3)4)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyRQSJXUJPZFEMTR-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid (CID 79687679) is 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid is CC(C)C1CN(C(C(=O)O)C(C)C)C1.
What is the InChIKey of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The InChIKey is RQSJXUJPZFEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9-5-12(6-9)10(8(3)4)11(13)14/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid?
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid is sourced from PubChem (CID 79687679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).