methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate

C12H20N2O6 — CID 10062627

IUPACmethyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC
InChIInChI=1S/C12H20N2O6/c1-19-11(17)5-3-9(15)13-7-8-14-10(16)4-6-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFZUCPKCDBZAWQQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.87
Rot. Bonds9

About methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate

methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate (PubChem CID 10062627) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate
PubChem CID10062627
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Namemethyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC
InChIInChI=1S/C12H20N2O6/c1-19-11(17)5-3-9(15)13-7-8-14-10(16)4-6-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyFZUCPKCDBZAWQQ-UHFFFAOYSA-N
XLogP-0.87
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate with MolForge

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Related Compounds

Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
(3R)-3-amino-4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoic acid
CID 44369379
(3R)-3-amino-4-[(3-methoxy-3-oxopropyl)amino]-4-oxobutanoic acid
CID 44369649
(3R)-3-amino-4-[[(2S)-4-methoxy-4-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 44369650
(3S)-3-amino-4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoic acid
CID 44383282
N1-acetyl,N8-succinylspermidine
CID 168475454
N1-succinyl,N8-acetylspermidine
CID 168475455
Butanoic acid, 4-oxo-4-(2-propynylamino)-, methyl ester
CID 86014944
Methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
CID 135021489
Methyl 4-{bis[2-(dimethylamino)ethyl]amino}-4-oxobutanoate
CID 228369
Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate
CID 391820

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate (CID 10062627) is methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCNC(=O)CCC(=O)OC.
What is the InChIKey of methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate?
The InChIKey is FZUCPKCDBZAWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-19-11(17)5-3-9(15)13-7-8-14-10(16)4-6-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate?
methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate has a molecular weight of 288.30 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-methoxy-4-oxobutanoyl)amino]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 10062627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).