methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate

C10H16N2O6 — CID 118608572

IUPACmethyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCCCNC(=O)C(=O)OC
InChIInChI=1S/C10H16N2O6/c1-17-9(15)7(13)11-5-3-4-6-12-8(14)10(16)18-2/h3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyYLVLTVGNOUVFIG-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.65
Rot. Bonds5

About methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate

methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate (PubChem CID 118608572) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
PubChem CID118608572
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Namemethyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCCCCNC(=O)C(=O)OC
InChIInChI=1S/C10H16N2O6/c1-17-9(15)7(13)11-5-3-4-6-12-8(14)10(16)18-2/h3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyYLVLTVGNOUVFIG-UHFFFAOYSA-N
XLogP-1.65
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-hydroxypropylamino)-2-oxoacetate
CID 45082405
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
methyl 2-[3-[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
CID 175696779
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
methyl 2-[3-[[[[[[[[[[[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
CID 175696771
methyl 2-[3-[ethoxy(dimethyl)silyl]propylamino]-2-oxoacetate
CID 175715117
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 112616762

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate (CID 118608572) is methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate is COC(=O)C(=O)NCCCCNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate?
The InChIKey is YLVLTVGNOUVFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-17-9(15)7(13)11-5-3-4-6-12-8(14)10(16)18-2/h3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate?
methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate has a molecular weight of 260.25 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate is sourced from PubChem (CID 118608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).