ethyl 3-(butan-2-ylamino)-4-oxopentanoate

C11H21NO3 — CID 82322133

IUPACethyl 3-(butan-2-ylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC(C)CC)C(C)=O
InChIInChI=1S/C11H21NO3/c1-5-8(3)12-10(9(4)13)7-11(14)15-6-2/h8,10,12H,5-7H2,1-4H3
InChIKeySQLXDMIPMZDKEA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.29
Rot. Bonds7

About ethyl 3-(butan-2-ylamino)-4-oxopentanoate

ethyl 3-(butan-2-ylamino)-4-oxopentanoate (PubChem CID 82322133) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-(butan-2-ylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(butan-2-ylamino)-4-oxopentanoate
PubChem CID82322133
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-(butan-2-ylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC(C)CC)C(C)=O
InChIInChI=1S/C11H21NO3/c1-5-8(3)12-10(9(4)13)7-11(14)15-6-2/h8,10,12H,5-7H2,1-4H3
InChIKeySQLXDMIPMZDKEA-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(butan-2-ylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(butan-2-ylamino)-4-oxopentanoate (CID 82322133) is ethyl 3-(butan-2-ylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(butan-2-ylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(butan-2-ylamino)-4-oxopentanoate is CCOC(=O)CC(NC(C)CC)C(C)=O.
What is the InChIKey of ethyl 3-(butan-2-ylamino)-4-oxopentanoate?
The InChIKey is SQLXDMIPMZDKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(3)12-10(9(4)13)7-11(14)15-6-2/h8,10,12H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(butan-2-ylamino)-4-oxopentanoate?
ethyl 3-(butan-2-ylamino)-4-oxopentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(butan-2-ylamino)-4-oxopentanoate is sourced from PubChem (CID 82322133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).