(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride

C5H11ClFNO2 — CID 88817643

IUPAC(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
SMILESCC(CF)[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-3(2-6)4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m1./s1
InChIKeyXYYOHEUBWXLFBK-ZAQOELHGSA-N
MW171.60 g/mol
LogP0.43
Rot. Bonds3

About (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride

(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride (PubChem CID 88817643) has the molecular formula C5H11ClFNO2 and a molecular weight of 171.60 g/mol. Its IUPAC name is (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
PubChem CID88817643
Molecular FormulaC5H11ClFNO2
Molecular Weight171.60 g/mol
Exact Mass171.05
IUPAC Name(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
SMILESCC(CF)[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-3(2-6)4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m1./s1
InChIKeyXYYOHEUBWXLFBK-ZAQOELHGSA-N
XLogP0.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
(3R)-2-amino-3-methylpentanedioic acid
CID 90857110
bis((2S,3S)-2-amino-3-methylpentanoic acid);formaldehyde
CID 174851375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride (CID 88817643) is (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride is CC(CF)[C@@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride?
The InChIKey is XYYOHEUBWXLFBK-ZAQOELHGSA-N. The full InChI is InChI=1S/C5H10FNO2.ClH/c1-3(2-6)4(7)5(8)9;/h3-4H,2,7H2,1H3,(H,8,9);1H/t3?,4-;/m1./s1.
What are the key properties of (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride?
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride has a molecular weight of 171.60 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 88817643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).