methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate

C9H15NO4 — CID 114469599

IUPACmethyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
SMILESC=C(C)COCCNC(=O)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-7(2)6-14-5-4-10-8(11)9(12)13-3/h1,4-6H2,2-3H3,(H,10,11)
InChIKeyWHFRQRBHYBRWTK-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.13
Rot. Bonds5

About methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate

methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate (PubChem CID 114469599) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
PubChem CID114469599
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
SMILESC=C(C)COCCNC(=O)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-7(2)6-14-5-4-10-8(11)9(12)13-3/h1,4-6H2,2-3H3,(H,10,11)
InChIKeyWHFRQRBHYBRWTK-UHFFFAOYSA-N
XLogP-0.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
CID 107989485
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
CID 118608572
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
CID 114467928

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate (CID 114469599) is methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate is C=C(C)COCCNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate?
The InChIKey is WHFRQRBHYBRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(2)6-14-5-4-10-8(11)9(12)13-3/h1,4-6H2,2-3H3,(H,10,11).
What are the key properties of methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate?
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate has a molecular weight of 201.22 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate is sourced from PubChem (CID 114469599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).