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'}

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Related Compounds

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CID 44322929
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
CID 366851
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
L-Alanine, L-alanyl-L-alanyl-, methyl ester, acetate (1:1)
CID 6364618
methyl (2R)-2-[[(2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]propanoate
CID 7663252
l-Alanyl-l-alanyl-l-alanine methyl ester
CID 6097192
l-Alanylglycine ethyl ester
CID 10725907
tert-Butoxycarbonyl-(S)-alanyl-(S)-alanin-ethylester
CID 10913206

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).