2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate

C10H17FNO3- — CID 164713771

IUPAC2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate
SMILESCCC(CC(C)C(=O)NCCF)C(=O)[O-]
InChIInChI=1S/C10H18FNO3/c1-3-8(10(14)15)6-7(2)9(13)12-5-4-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyCAKVYWUKBKPHHX-UHFFFAOYSA-M
MW218.25 g/mol
LogP-0.13
Rot. Bonds7

About 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate

2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate (PubChem CID 164713771) has the molecular formula C10H17FNO3- and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Name2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate
PubChem CID164713771
Molecular FormulaC10H17FNO3-
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate
SMILESCCC(CC(C)C(=O)NCCF)C(=O)[O-]
InChIInChI=1S/C10H18FNO3/c1-3-8(10(14)15)6-7(2)9(13)12-5-4-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyCAKVYWUKBKPHHX-UHFFFAOYSA-M
XLogP-0.13
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate?
The IUPAC name of 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate (CID 164713771) is 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate.
What is the SMILES notation for 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate?
The canonical SMILES for 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate is CCC(CC(C)C(=O)NCCF)C(=O)[O-].
What is the InChIKey of 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate?
The InChIKey is CAKVYWUKBKPHHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18FNO3/c1-3-8(10(14)15)6-7(2)9(13)12-5-4-11/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1.
What are the key properties of 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate?
2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate has a molecular weight of 218.25 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-fluoroethylamino)-4-methyl-5-oxopentanoate is sourced from PubChem (CID 164713771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).