2-ethylbutyl 4-(ethylamino)-4-oxobutanoate

C12H23NO3 — CID 23568314

IUPAC2-ethylbutyl 4-(ethylamino)-4-oxobutanoate
SMILESCCNC(=O)CCC(=O)OCC(CC)CC
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)9-16-12(15)8-7-11(14)13-6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyHKRLXAFAXLNOFS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.88
Rot. Bonds8

About 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate

2-ethylbutyl 4-(ethylamino)-4-oxobutanoate (PubChem CID 23568314) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-ethylbutyl 4-(ethylamino)-4-oxobutanoate
PubChem CID23568314
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethylbutyl 4-(ethylamino)-4-oxobutanoate
SMILESCCNC(=O)CCC(=O)OCC(CC)CC
InChIInChI=1S/C12H23NO3/c1-4-10(5-2)9-16-12(15)8-7-11(14)13-6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyHKRLXAFAXLNOFS-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate?
The IUPAC name of 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate (CID 23568314) is 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate.
What is the SMILES notation for 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate?
The canonical SMILES for 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate is CCNC(=O)CCC(=O)OCC(CC)CC.
What is the InChIKey of 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate?
The InChIKey is HKRLXAFAXLNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-10(5-2)9-16-12(15)8-7-11(14)13-6-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate?
2-ethylbutyl 4-(ethylamino)-4-oxobutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutyl 4-(ethylamino)-4-oxobutanoate is sourced from PubChem (CID 23568314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).