(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid

C9H18FNO2 — CID 125426862

IUPAC(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid
SMILESCC[C@@H](C)C[C@@](N)(CCF)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-7(2)6-9(11,4-5-10)8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)/t7-,9+/m1/s1
InChIKeyNWZOUWKRWHGSGF-APPZFPTMSA-N
MW191.25 g/mol
LogP1.56
Rot. Bonds6

About (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid

(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid (PubChem CID 125426862) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid.

Molecular Properties

Compound Name(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid
PubChem CID125426862
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid
SMILESCC[C@@H](C)C[C@@](N)(CCF)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-3-7(2)6-9(11,4-5-10)8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)/t7-,9+/m1/s1
InChIKeyNWZOUWKRWHGSGF-APPZFPTMSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
2,2,4-trimethylhexanoic acid
CID 15564208
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-(aminomethyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)hexanoic acid
CID 90964168
carbonic acid;3-methylpentane
CID 173481374
CID 153378424
CID 153378424
2-fluoro-4-methyl-2-propan-2-ylhexanamide
CID 139916528
(2S)-2-amino-2-(sulfanylmethyl)pentanoic acid
CID 87814836
2,2,4-trimethylhexanamide
CID 173326530
2,5-diamino-2-(fluoromethyl)pentanoic acid;hydrochloride
CID 14231035

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid?
The IUPAC name of (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid (CID 125426862) is (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid.
What is the SMILES notation for (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid?
The canonical SMILES for (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid is CC[C@@H](C)C[C@@](N)(CCF)C(=O)O.
What is the InChIKey of (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid?
The InChIKey is NWZOUWKRWHGSGF-APPZFPTMSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-3-7(2)6-9(11,4-5-10)8(12)13/h7H,3-6,11H2,1-2H3,(H,12,13)/t7-,9+/m1/s1.
What are the key properties of (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid?
(2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-amino-2-(2-fluoroethyl)-4-methylhexanoic acid is sourced from PubChem (CID 125426862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).