methyl 2-fluoro-3-(methylamino)propanoate

C5H10FNO2 — CID 84648239

IUPACmethyl 2-fluoro-3-(methylamino)propanoate
SMILESCNCC(F)C(=O)OC
InChIInChI=1S/C5H10FNO2/c1-7-3-4(6)5(8)9-2/h4,7H,3H2,1-2H3
InChIKeyKLCLABMWRWKKES-UHFFFAOYSA-N
MW135.14 g/mol
LogP-0.28
Rot. Bonds3

About methyl 2-fluoro-3-(methylamino)propanoate

methyl 2-fluoro-3-(methylamino)propanoate (PubChem CID 84648239) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is methyl 2-fluoro-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-(methylamino)propanoate
PubChem CID84648239
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Namemethyl 2-fluoro-3-(methylamino)propanoate
SMILESCNCC(F)C(=O)OC
InChIInChI=1S/C5H10FNO2/c1-7-3-4(6)5(8)9-2/h4,7H,3H2,1-2H3
InChIKeyKLCLABMWRWKKES-UHFFFAOYSA-N
XLogP-0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-(methylamino)propanoate?
The IUPAC name of methyl 2-fluoro-3-(methylamino)propanoate (CID 84648239) is methyl 2-fluoro-3-(methylamino)propanoate.
What is the SMILES notation for methyl 2-fluoro-3-(methylamino)propanoate?
The canonical SMILES for methyl 2-fluoro-3-(methylamino)propanoate is CNCC(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoro-3-(methylamino)propanoate?
The InChIKey is KLCLABMWRWKKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-7-3-4(6)5(8)9-2/h4,7H,3H2,1-2H3.
What are the key properties of methyl 2-fluoro-3-(methylamino)propanoate?
methyl 2-fluoro-3-(methylamino)propanoate has a molecular weight of 135.14 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-(methylamino)propanoate is sourced from PubChem (CID 84648239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).