(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid

C7H14FNO2 — CID 125427224

IUPAC(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
SMILESCC(C)[C@@](N)(CCF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-5(2)7(9,3-4-8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyUSWOREDYQDFPSR-ZETCQYMHSA-N
MW163.19 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid

(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid (PubChem CID 125427224) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
PubChem CID125427224
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
SMILESCC(C)[C@@](N)(CCF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-5(2)7(9,3-4-8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyUSWOREDYQDFPSR-ZETCQYMHSA-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

(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
CID 88582451
CID 88582451
2-amino-2-[2-[2-carboxyethyl(hydroxy)phosphoryl]ethyl]-3-methylbutanoic acid
CID 3739649
(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid
CID 125426862
2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189
2-amino-2-(1-hydroxyethyl)-5-methoxy-5-oxopentanoic acid
CID 54109371
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2,5-diamino-2-[chloro(fluoro)methyl]pentanoic acid
CID 18177515
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
2-acetyl-2-amino-3-methylbutanoic acid
CID 18917748
2-(aminomethyl)-5,5,5-trifluoro-2-propan-2-ylpentanoic acid
CID 106488526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid (CID 125427224) is (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid is CC(C)[C@@](N)(CCF)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid?
The InChIKey is USWOREDYQDFPSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-5(2)7(9,3-4-8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid?
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic 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-2-(2-fluoroethyl)-3-methylbutanoic acid is sourced from PubChem (CID 125427224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).