ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate

C10H18N2O4 — CID 103113071

IUPACethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H18N2O4/c1-5-12(4)9(14)7(3)11-8(13)10(15)16-6-2/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyUBRJAMLGUKIHML-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.47
Rot. Bonds4

About ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate

ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate (PubChem CID 103113071) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
PubChem CID103113071
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)C(=O)N(C)CC
InChIInChI=1S/C10H18N2O4/c1-5-12(4)9(14)7(3)11-8(13)10(15)16-6-2/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyUBRJAMLGUKIHML-UHFFFAOYSA-N
XLogP-0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
2-[(N'-cyclopropylcarbamimidoyl)amino]-N-ethyl-N-methylpropanamide
CID 103111147
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxypentanamide
CID 103113627
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969
N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
CID 107036969
N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide
CID 103108210
N-ethyl-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 103113639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate (CID 103113071) is ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)NC(C)C(=O)N(C)CC.
What is the InChIKey of ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate?
The InChIKey is UBRJAMLGUKIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-12(4)9(14)7(3)11-8(13)10(15)16-6-2/h7H,5-6H2,1-4H3,(H,11,13).
What are the key properties of ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate?
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate has a molecular weight of 230.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 103113071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).