methyl 3-(ethylamino)-3-oxopropanoate

C6H11NO3 — CID 15006666

IUPACmethyl 3-(ethylamino)-3-oxopropanoate
SMILESCCNC(=O)CC(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-7-5(8)4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyMNTTVWVJBICXGS-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About methyl 3-(ethylamino)-3-oxopropanoate

methyl 3-(ethylamino)-3-oxopropanoate (PubChem CID 15006666) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-oxopropanoate
PubChem CID15006666
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-(ethylamino)-3-oxopropanoate
SMILESCCNC(=O)CC(=O)OC
InChIInChI=1S/C6H11NO3/c1-3-7-5(8)4-6(9)10-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyMNTTVWVJBICXGS-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
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)-3-oxopropanoate?
The IUPAC name of methyl 3-(ethylamino)-3-oxopropanoate (CID 15006666) is methyl 3-(ethylamino)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-oxopropanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-oxopropanoate is CCNC(=O)CC(=O)OC.
What is the InChIKey of methyl 3-(ethylamino)-3-oxopropanoate?
The InChIKey is MNTTVWVJBICXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-7-5(8)4-6(9)10-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of methyl 3-(ethylamino)-3-oxopropanoate?
methyl 3-(ethylamino)-3-oxopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-oxopropanoate is sourced from PubChem (CID 15006666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).