methyl (2R)-3-amino-2-fluoropropanoate

C4H8FNO2 — CID 53375231

IUPACmethyl (2R)-3-amino-2-fluoropropanoate
SMILESCOC(=O)[C@H](F)CN
InChIInChI=1S/C4H8FNO2/c1-8-4(7)3(5)2-6/h3H,2,6H2,1H3/t3-/m1/s1
InChIKeyWOVBJOLECSYCJY-GSVOUGTGSA-N
MW121.11 g/mol
LogP-0.54
Rot. Bonds2

About methyl (2R)-3-amino-2-fluoropropanoate

methyl (2R)-3-amino-2-fluoropropanoate (PubChem CID 53375231) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is methyl (2R)-3-amino-2-fluoropropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-amino-2-fluoropropanoate
PubChem CID53375231
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Namemethyl (2R)-3-amino-2-fluoropropanoate
SMILESCOC(=O)[C@H](F)CN
InChIInChI=1S/C4H8FNO2/c1-8-4(7)3(5)2-6/h3H,2,6H2,1H3/t3-/m1/s1
InChIKeyWOVBJOLECSYCJY-GSVOUGTGSA-N
XLogP-0.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-amino-2-fluoropropanoate?
The IUPAC name of methyl (2R)-3-amino-2-fluoropropanoate (CID 53375231) is methyl (2R)-3-amino-2-fluoropropanoate.
What is the SMILES notation for methyl (2R)-3-amino-2-fluoropropanoate?
The canonical SMILES for methyl (2R)-3-amino-2-fluoropropanoate is COC(=O)[C@H](F)CN.
What is the InChIKey of methyl (2R)-3-amino-2-fluoropropanoate?
The InChIKey is WOVBJOLECSYCJY-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-8-4(7)3(5)2-6/h3H,2,6H2,1H3/t3-/m1/s1.
What are the key properties of methyl (2R)-3-amino-2-fluoropropanoate?
methyl (2R)-3-amino-2-fluoropropanoate has a molecular weight of 121.11 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-amino-2-fluoropropanoate is sourced from PubChem (CID 53375231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).