methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate

C8H14FNO3 — CID 88918928

IUPACmethyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CF
InChIInChI=1S/C8H14FNO3/c1-3-10(7(11)6-9)5-4-8(12)13-2/h3-6H2,1-2H3
InChIKeyYCONQGLHXKXMMN-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.37
Rot. Bonds5

About methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate

methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate (PubChem CID 88918928) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate
PubChem CID88918928
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CF
InChIInChI=1S/C8H14FNO3/c1-3-10(7(11)6-9)5-4-8(12)13-2/h3-6H2,1-2H3
InChIKeyYCONQGLHXKXMMN-UHFFFAOYSA-N
XLogP0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate (CID 88918928) is methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)CF.
What is the InChIKey of methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate?
The InChIKey is YCONQGLHXKXMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-3-10(7(11)6-9)5-4-8(12)13-2/h3-6H2,1-2H3.
What are the key properties of methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate?
methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate has a molecular weight of 191.20 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(2-fluoroacetyl)amino]propanoate is sourced from PubChem (CID 88918928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).