(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid

C8H14F2N2O2 — CID 168737374

IUPAC(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid
SMILESCN[C@@H](CCN1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C8H14F2N2O2/c1-11-6(7(13)14)2-3-12-4-8(9,10)5-12/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyDGOMNDMTLVCFOF-LURJTMIESA-N
MW208.21 g/mol
LogP0.00
Rot. Bonds5

About (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid

(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid (PubChem CID 168737374) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid
PubChem CID168737374
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid
SMILESCN[C@@H](CCN1CC(F)(F)C1)C(=O)O
InChIInChI=1S/C8H14F2N2O2/c1-11-6(7(13)14)2-3-12-4-8(9,10)5-12/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyDGOMNDMTLVCFOF-LURJTMIESA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nicotianamine
CID 9882882
N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid
CID 3450503
alpha-Amino-2-carboxy-1-azetidinebutanoic acid
CID 13892425
(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
CID 122462389
(2R)-azetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 135241683
CID 135241686
CID 135241686
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 142490828
4-(3,3-Difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146471630
(2S)-4-(4,4-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146563103
[(1S)-1-carboxy-3-(3,3-difluoropiperidin-1-yl)propyl]-methylazanium
CID 153487000
(2S)-2-amino-4-[3,3-difluoropropyl(methyl)amino]butanoic acid
CID 155277757
(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)-4-oxobutanoic acid
CID 168737504

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid?
The IUPAC name of (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid (CID 168737374) is (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid.
What is the SMILES notation for (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid?
The canonical SMILES for (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid is CN[C@@H](CCN1CC(F)(F)C1)C(=O)O.
What is the InChIKey of (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid?
The InChIKey is DGOMNDMTLVCFOF-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-11-6(7(13)14)2-3-12-4-8(9,10)5-12/h6,11H,2-5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid?
(2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid has a molecular weight of 208.21 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,3-difluoroazetidin-1-yl)-2-(methylamino)butanoic acid is sourced from PubChem (CID 168737374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).