methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate

C10H19FN2O2 — CID 105472579

IUPACmethyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(N)C(F)C1CCN(C)CC1
InChIInChI=1S/C10H19FN2O2/c1-13-5-3-7(4-6-13)8(11)9(12)10(14)15-2/h7-9H,3-6,12H2,1-2H3
InChIKeyGMGIKCXHUVOFNF-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.17
Rot. Bonds3

About methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate

methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate (PubChem CID 105472579) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
PubChem CID105472579
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Namemethyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(N)C(F)C1CCN(C)CC1
InChIInChI=1S/C10H19FN2O2/c1-13-5-3-7(4-6-13)8(11)9(12)10(14)15-2/h7-9H,3-6,12H2,1-2H3
InChIKeyGMGIKCXHUVOFNF-UHFFFAOYSA-N
XLogP0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate 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

methyl 2-fluoro-3-(1-methylpiperidin-4-yl)-3-oxopropanoate
CID 105470836
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl 2-[amino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116946118
methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate
CID 116960489
methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
CID 116913623
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
CID 83856314
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate?
The IUPAC name of methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate (CID 105472579) is methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate is COC(=O)C(N)C(F)C1CCN(C)CC1.
What is the InChIKey of methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate?
The InChIKey is GMGIKCXHUVOFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-13-5-3-7(4-6-13)8(11)9(12)10(14)15-2/h7-9H,3-6,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate?
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate has a molecular weight of 218.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate is sourced from PubChem (CID 105472579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).