methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride

C6H13ClFNO2 — CID 86669711

IUPACmethyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride
SMILESCOC(=O)C(N)C(C)(C)F.Cl
InChIInChI=1S/C6H12FNO2.ClH/c1-6(2,7)4(8)5(9)10-3;/h4H,8H2,1-3H3;1H
InChIKeyWQGRPHNMWIHAAG-UHFFFAOYSA-N
MW185.63 g/mol
LogP0.66
Rot. Bonds2

About methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride

methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride (PubChem CID 86669711) has the molecular formula C6H13ClFNO2 and a molecular weight of 185.63 g/mol. Its IUPAC name is methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride
PubChem CID86669711
Molecular FormulaC6H13ClFNO2
Molecular Weight185.63 g/mol
Exact Mass185.06
IUPAC Namemethyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride
SMILESCOC(=O)C(N)C(C)(C)F.Cl
InChIInChI=1S/C6H12FNO2.ClH/c1-6(2,7)4(8)5(9)10-3;/h4H,8H2,1-3H3;1H
InChIKeyWQGRPHNMWIHAAG-UHFFFAOYSA-N
XLogP0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Valine methyl ester
CID 94285
Methyl valinate hydrochloride
CID 111190
Valine, methyl ester, hydrochloride (1:1)
CID 12498813
Methyl D-valinate hydrochloride
CID 11984198
DL-Valine methylester
CID 409683
2-Aminobutyric acid methyl ester
CID 151013
Methyl L-tert-leucinate
CID 11309583
methyl (2R)-2-aminobutanoate hydrochloride
CID 13283516
Methyl L-tert-leucinate hydrochloride
CID 16217630
Methyl 2-aminobutanoate hydrochloride
CID 13283515
Methyl 2-amino-3,3-dimethylbutanoate hydrochloride
CID 13635395
Methyl 2-amino-4,4,4-trifluorobutanoate hydrochloride
CID 44717559

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride (CID 86669711) is methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride is COC(=O)C(N)C(C)(C)F.Cl.
What is the InChIKey of methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride?
The InChIKey is WQGRPHNMWIHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2.ClH/c1-6(2,7)4(8)5(9)10-3;/h4H,8H2,1-3H3;1H.
What are the key properties of methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride?
methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride has a molecular weight of 185.63 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-fluoro-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 86669711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).