ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate

C9H17NO3 — CID 60895382

IUPACethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(C)C
InChIInChI=1S/C9H17NO3/c1-5-13-9(12)8(11)10(4)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyXQBRPMRBQRXQJT-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds3

About ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate

ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate (PubChem CID 60895382) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
PubChem CID60895382
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)CC(C)C
InChIInChI=1S/C9H17NO3/c1-5-13-9(12)8(11)10(4)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyXQBRPMRBQRXQJT-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
CID 62338582
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
CID 60895023
N-methyl-N-(2-methylpropyl)-2-oxopropanamide
CID 115175418
3-[(2-ethoxy-2-oxoacetyl)-methylamino]butanoic acid
CID 155341157
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
2-[(2-ethoxy-2-oxoacetyl)-ethylamino]propanoic acid
CID 175018742
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 6-methyl-2,3-dioxoheptanoate
CID 71339564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate (CID 60895382) is ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)CC(C)C.
What is the InChIKey of ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate?
The InChIKey is XQBRPMRBQRXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-13-9(12)8(11)10(4)6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate?
ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate has a molecular weight of 187.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(2-methylpropyl)amino]-2-oxoacetate is sourced from PubChem (CID 60895382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).