ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate

C11H21NO3 — CID 12843609

IUPACethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-15-11(14)7-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyGSHODLHJGNOQOW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds5

About ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate

ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate (PubChem CID 12843609) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate
PubChem CID12843609
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-15-11(14)7-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyGSHODLHJGNOQOW-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate (CID 12843609) is ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate is CCOC(=O)CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate?
The InChIKey is GSHODLHJGNOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-15-11(14)7-10(13)12(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate?
ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[di(propan-2-yl)amino]-3-oxopropanoate is sourced from PubChem (CID 12843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).