methyl 3-(ethylamino)-2-methyl-3-oxopropanoate

C7H13NO3 — CID 20660437

IUPACmethyl 3-(ethylamino)-2-methyl-3-oxopropanoate
SMILESCCNC(=O)C(C)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-8-6(9)5(2)7(10)11-3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyADGZRBFVTNMZRI-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.07
Rot. Bonds3

About methyl 3-(ethylamino)-2-methyl-3-oxopropanoate

methyl 3-(ethylamino)-2-methyl-3-oxopropanoate (PubChem CID 20660437) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 3-(ethylamino)-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-2-methyl-3-oxopropanoate
PubChem CID20660437
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-(ethylamino)-2-methyl-3-oxopropanoate
SMILESCCNC(=O)C(C)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-8-6(9)5(2)7(10)11-3/h5H,4H2,1-3H3,(H,8,9)
InChIKeyADGZRBFVTNMZRI-UHFFFAOYSA-N
XLogP-0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
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 methyl 3-(ethylamino)-2-methyl-3-oxopropanoate?
The IUPAC name of methyl 3-(ethylamino)-2-methyl-3-oxopropanoate (CID 20660437) is methyl 3-(ethylamino)-2-methyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-(ethylamino)-2-methyl-3-oxopropanoate?
The canonical SMILES for methyl 3-(ethylamino)-2-methyl-3-oxopropanoate is CCNC(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-(ethylamino)-2-methyl-3-oxopropanoate?
The InChIKey is ADGZRBFVTNMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-8-6(9)5(2)7(10)11-3/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of methyl 3-(ethylamino)-2-methyl-3-oxopropanoate?
methyl 3-(ethylamino)-2-methyl-3-oxopropanoate has a molecular weight of 159.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-2-methyl-3-oxopropanoate is sourced from PubChem (CID 20660437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).