(2R)-3,3-difluoro-2-(methylamino)propanoic acid

C4H7F2NO2 — CID 150436276

IUPAC(2R)-3,3-difluoro-2-(methylamino)propanoic acid
SMILESCN[C@H](C(=O)O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-7-2(3(5)6)4(8)9/h2-3,7H,1H3,(H,8,9)/t2-/m0/s1
InChIKeyHKVGBKQAUZOIBF-REOHCLBHSA-N
MW139.10 g/mol
LogP-0.08
Rot. Bonds3

About (2R)-3,3-difluoro-2-(methylamino)propanoic acid

(2R)-3,3-difluoro-2-(methylamino)propanoic acid (PubChem CID 150436276) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-(methylamino)propanoic acid
PubChem CID150436276
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name(2R)-3,3-difluoro-2-(methylamino)propanoic acid
SMILESCN[C@H](C(=O)O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-7-2(3(5)6)4(8)9/h2-3,7H,1H3,(H,8,9)/t2-/m0/s1
InChIKeyHKVGBKQAUZOIBF-REOHCLBHSA-N
XLogP-0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
3-methyl-2-(methylamino)butanoic acid
CID 4378
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
CID 116914027
(2S,3S)-4-fluoro-2-(methylamino)-3-tritiooxybutanoic acid
CID 59090067
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
(2S,3S)-3-formyl-4-methyl-2-(methylamino)pentanoic acid
CID 87990992

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-(methylamino)propanoic acid?
The IUPAC name of (2R)-3,3-difluoro-2-(methylamino)propanoic acid (CID 150436276) is (2R)-3,3-difluoro-2-(methylamino)propanoic acid.
What is the SMILES notation for (2R)-3,3-difluoro-2-(methylamino)propanoic acid?
The canonical SMILES for (2R)-3,3-difluoro-2-(methylamino)propanoic acid is CN[C@H](C(=O)O)C(F)F.
What is the InChIKey of (2R)-3,3-difluoro-2-(methylamino)propanoic acid?
The InChIKey is HKVGBKQAUZOIBF-REOHCLBHSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-7-2(3(5)6)4(8)9/h2-3,7H,1H3,(H,8,9)/t2-/m0/s1.
What are the key properties of (2R)-3,3-difluoro-2-(methylamino)propanoic acid?
(2R)-3,3-difluoro-2-(methylamino)propanoic acid has a molecular weight of 139.10 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-2-(methylamino)propanoic acid is sourced from PubChem (CID 150436276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).