ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate

C10H19NO4 — CID 65048237

IUPACethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(COC)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-15-10(13)9(12)11-8(6-14-4)7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyWHFCPOARKSJLOJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.34
Rot. Bonds5

About ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate

ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate (PubChem CID 65048237) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
PubChem CID65048237
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(COC)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-15-10(13)9(12)11-8(6-14-4)7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyWHFCPOARKSJLOJ-UHFFFAOYSA-N
XLogP0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
2-amino-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)propanamide
CID 81101107
N-(cyanomethyl)-N'-(1-methoxy-3-methylbutan-2-yl)oxamide
CID 65049361
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65047437
2-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylpentanamide
CID 65049075
2-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65049176
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
1-amino-N-(1-methoxy-3-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 81169544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate (CID 65048237) is ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC(COC)C(C)C.
What is the InChIKey of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate?
The InChIKey is WHFCPOARKSJLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-15-10(13)9(12)11-8(6-14-4)7(2)3/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate?
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate has a molecular weight of 217.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 65048237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).