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

C5H11ClFNO2 — CID 105434995

IUPACmethyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(F)CN.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-5(6,3-7)4(8)9-2;/h3,7H2,1-2H3;1H
InChIKeyJUNOOWIWHGVPNL-UHFFFAOYSA-N
MW171.60 g/mol
LogP0.27
Rot. Bonds2

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

methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride (PubChem CID 105434995) has the molecular formula C5H11ClFNO2 and a molecular weight of 171.60 g/mol. Its IUPAC name is methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride
PubChem CID105434995
Molecular FormulaC5H11ClFNO2
Molecular Weight171.60 g/mol
Exact Mass171.05
IUPAC Namemethyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(F)CN.Cl
InChIInChI=1S/C5H10FNO2.ClH/c1-5(6,3-7)4(8)9-2;/h3,7H2,1-2H3;1H
InChIKeyJUNOOWIWHGVPNL-UHFFFAOYSA-N
XLogP0.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.60
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-aminopropanoate hydrochloride
CID 2734767
Methyl beta-alanate
CID 192794
Methyl 3-amino-2-methylpropanoate
CID 10486829
Methyl 3-amino-2-methylpropanoate hydrochloride
CID 13063725
Methyl 3-amino-2,2-dimethylpropanoate hydrochloride
CID 43811190
Ethyl 3-amino-2,2-difluoropropanoate hydrochloride
CID 49853527
Methyl 3-amino-2-fluoropropanoate hydrochloride
CID 76026949
methyl (2R)-3-amino-2-methylpropanoate hydrochloride
CID 86749859
Methyl 3-amino-2-(trifluoromethyl)propanoate hydrochloride
CID 90489749
methyl (2S)-3-amino-2-fluoropropanoate hydrochloride
CID 126797021
Methyl 3-amino-2,2-dimethylpropanoate
CID 13285789
Ethyl 3-amino-2-fluoropropanoate
CID 14144830

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride (CID 105434995) is methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride is COC(=O)C(C)(F)CN.Cl.
What is the InChIKey of methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride?
The InChIKey is JUNOOWIWHGVPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2.ClH/c1-5(6,3-7)4(8)9-2;/h3,7H2,1-2H3;1H.
What are the key properties of methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride?
methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride has a molecular weight of 171.60 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-fluoro-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 105434995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).