3-(azetidin-1-yl)-2,2-dimethylpropanoic acid

C8H15NO2 — CID 66588470

IUPAC3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6-9-4-3-5-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyVQJJYQGNFKWVJG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds3

About 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid

3-(azetidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 66588470) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID66588470
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCC1)C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6-9-4-3-5-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyVQJJYQGNFKWVJG-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-thiomorpholin-4-ylpropanoic acid
CID 59815681
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79621409
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
2,2-dimethyl-6-piperidin-1-ylhexanoic acid
CID 106713861
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid (CID 66588470) is 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCC1)C(=O)O.
What is the InChIKey of 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is VQJJYQGNFKWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,7(10)11)6-9-4-3-5-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid?
3-(azetidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 66588470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).