ethyl 4-oxo-3-(propan-2-ylamino)pentanoate

C10H19NO3 — CID 82322141

IUPACethyl 4-oxo-3-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)CC(NC(C)C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-5-14-10(13)6-9(8(4)12)11-7(2)3/h7,9,11H,5-6H2,1-4H3
InChIKeySCUMIMHBXUFIJB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.90
Rot. Bonds6

About ethyl 4-oxo-3-(propan-2-ylamino)pentanoate

ethyl 4-oxo-3-(propan-2-ylamino)pentanoate (PubChem CID 82322141) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 4-oxo-3-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-3-(propan-2-ylamino)pentanoate
PubChem CID82322141
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 4-oxo-3-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)CC(NC(C)C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-5-14-10(13)6-9(8(4)12)11-7(2)3/h7,9,11H,5-6H2,1-4H3
InChIKeySCUMIMHBXUFIJB-UHFFFAOYSA-N
XLogP0.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 4-oxo-3-(propan-2-ylamino)pentanoate (CID 82322141) is ethyl 4-oxo-3-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 4-oxo-3-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 4-oxo-3-(propan-2-ylamino)pentanoate is CCOC(=O)CC(NC(C)C)C(C)=O.
What is the InChIKey of ethyl 4-oxo-3-(propan-2-ylamino)pentanoate?
The InChIKey is SCUMIMHBXUFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-14-10(13)6-9(8(4)12)11-7(2)3/h7,9,11H,5-6H2,1-4H3.
What are the key properties of ethyl 4-oxo-3-(propan-2-ylamino)pentanoate?
ethyl 4-oxo-3-(propan-2-ylamino)pentanoate has a molecular weight of 201.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 82322141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).