(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid

C7H13F2NO2 — CID 129050791

IUPAC(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C[C@H](N)C(=O)O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1
InChIKeyHRFIMCJTDKEPPV-BYPYZUCNSA-N
MW181.18 g/mol
LogP1.08
Rot. Bonds4

About (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid

(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid (PubChem CID 129050791) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid
PubChem CID129050791
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C[C@H](N)C(=O)O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1
InChIKeyHRFIMCJTDKEPPV-BYPYZUCNSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6106
D-Leucine
CID 439524
DL-leucine
CID 857
L-leucinium
CID 5460900
2-Amino-3-tert-butylpropionic acid
CID 351627
5,5,5-Trifluoro-DL-norvaline
CID 253377
5,5,5-Trifluoroleucine
CID 259832
(2S)-2-Amino-4,4-dimethylpentanoic acid
CID 194032
2-Amino-3,3-dimethylpentanoic acid
CID 15042684
(4s)-5-Fluoro-L-Leucine
CID 15227560
5,5,5,5',5',5'-Hexafluoroleucine
CID 7019591
(2S,3S)-2-amino-5,5,5-trifluoro-3-methylpentanoic acid
CID 87452334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid?
The IUPAC name of (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid (CID 129050791) is (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid is CC(C)(C[C@H](N)C(=O)O)C(F)F.
What is the InChIKey of (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid?
The InChIKey is HRFIMCJTDKEPPV-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid?
(2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid has a molecular weight of 181.18 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid is sourced from PubChem (CID 129050791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).