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

C8H16N2O2 — CID 79619982

IUPAC3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(N)C1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-8(2,7(11)12)5-10-3-6(9)4-10/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRJUUOVGAZYLNOE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.26
Rot. Bonds3

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

3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79619982) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79619982
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC(N)C1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-8(2,7(11)12)5-10-3-6(9)4-10/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyRJUUOVGAZYLNOE-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-t-Pentyl-3-aminoazetidine-3-carboxylic acid
CID 129844214
3-[(1-Ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid
CID 165466734
3-[2-[2-Aminopropyl(2-carboxyethyl)amino]propylamino]propanoic acid
CID 19100518
3-[2-[2-Aminoethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 20350921
3-[2-Aminopropyl(2-carboxyethyl)amino]propanoic acid
CID 21426944
(2R)-2-amino-3-(2,2-dimethylpropylamino)propanoic acid
CID 58210412
2-Amino-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583640
3-[Ethyl(propan-2-yl)amino]propanoic acid;propan-1-amine
CID 87700655
N-methoxymethanamine;1-propan-2-ylazetidine-3-carboxylic acid
CID 91539702
2,2-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propanoic acid
CID 104975814
3-[2-Aminopropyl(methyl)amino]propanoic acid
CID 123457860
3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid
CID 129095385

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid (CID 79619982) is 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CC(N)C1)C(=O)O.
What is the InChIKey of 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is RJUUOVGAZYLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,7(11)12)5-10-3-6(9)4-10/h6H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoazetidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79619982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).