ethyl 3-amino-2-fluoropropanoate

C5H10FNO2 — CID 14144830

IUPACethyl 3-amino-2-fluoropropanoate
SMILESCCOC(=O)C(F)CN
InChIInChI=1S/C5H10FNO2/c1-2-9-5(8)4(6)3-7/h4H,2-3,7H2,1H3
InChIKeyUOJRHPZOSHOMRW-UHFFFAOYSA-N
MW135.14 g/mol
LogP-0.15
Rot. Bonds3

About ethyl 3-amino-2-fluoropropanoate

ethyl 3-amino-2-fluoropropanoate (PubChem CID 14144830) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is ethyl 3-amino-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-fluoropropanoate
PubChem CID14144830
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Nameethyl 3-amino-2-fluoropropanoate
SMILESCCOC(=O)C(F)CN
InChIInChI=1S/C5H10FNO2/c1-2-9-5(8)4(6)3-7/h4H,2-3,7H2,1H3
InChIKeyUOJRHPZOSHOMRW-UHFFFAOYSA-N
XLogP-0.15
TPSA52.32 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 ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-fluoropropanoate?
The IUPAC name of ethyl 3-amino-2-fluoropropanoate (CID 14144830) is ethyl 3-amino-2-fluoropropanoate.
What is the SMILES notation for ethyl 3-amino-2-fluoropropanoate?
The canonical SMILES for ethyl 3-amino-2-fluoropropanoate is CCOC(=O)C(F)CN.
What is the InChIKey of ethyl 3-amino-2-fluoropropanoate?
The InChIKey is UOJRHPZOSHOMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-2-9-5(8)4(6)3-7/h4H,2-3,7H2,1H3.
What are the key properties of ethyl 3-amino-2-fluoropropanoate?
ethyl 3-amino-2-fluoropropanoate has a molecular weight of 135.14 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-fluoropropanoate is sourced from PubChem (CID 14144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).