ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate

C10H19NO3 — CID 77143249

IUPACethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate
SMILESCCOC(=O)CC(C)C(=O)N(C)CC
InChIInChI=1S/C10H19NO3/c1-5-11(4)10(13)8(3)7-9(12)14-6-2/h8H,5-7H2,1-4H3
InChIKeyYFSXKKSWWTZFQS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds5

About ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate

ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate (PubChem CID 77143249) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate
PubChem CID77143249
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate
SMILESCCOC(=O)CC(C)C(=O)N(C)CC
InChIInChI=1S/C10H19NO3/c1-5-11(4)10(13)8(3)7-9(12)14-6-2/h8H,5-7H2,1-4H3
InChIKeyYFSXKKSWWTZFQS-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate?
The IUPAC name of ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate (CID 77143249) is ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate?
The canonical SMILES for ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate is CCOC(=O)CC(C)C(=O)N(C)CC.
What is the InChIKey of ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate?
The InChIKey is YFSXKKSWWTZFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-11(4)10(13)8(3)7-9(12)14-6-2/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate?
ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate is sourced from PubChem (CID 77143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).