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

C7H14FNO2 — CID 129061039

IUPAC(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(CF)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-7(2,4-8)3-5(9)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyWTXXRBDBCZAQOB-YFKPBYRVSA-N
MW163.19 g/mol
LogP0.78
Rot. Bonds4

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

(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid (PubChem CID 129061039) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
PubChem CID129061039
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(CF)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-7(2,4-8)3-5(9)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKeyWTXXRBDBCZAQOB-YFKPBYRVSA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
CID 162641870
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 129061110
(4S)-2-amino-4-(difluoromethyl)-4-methylheptanoic acid
CID 167281606
2-amino-4-methyl-4-nitropentanoic acid
CID 11469376
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
(2S)-2-amino-4-methyl-4-nitropentanoic acid
CID 154154915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid?
The IUPAC name of (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid (CID 129061039) is (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid is CC(C)(CF)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid?
The InChIKey is WTXXRBDBCZAQOB-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,4-8)3-5(9)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid?
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.78, 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-fluoro-4,4-dimethylpentanoic acid is sourced from PubChem (CID 129061039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).