methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate

C11H18N2O6 — CID 10378628

IUPACmethyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCC(C)NC(=O)CC(=O)OC
InChIInChI=1S/C11H18N2O6/c1-7(13-9(15)5-11(17)19-3)6-12-8(14)4-10(16)18-2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyLZSOYBNMLOIPLL-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.27
Rot. Bonds7

About methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate

methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate (PubChem CID 10378628) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate
PubChem CID10378628
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Namemethyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate
SMILESCOC(=O)CC(=O)NCC(C)NC(=O)CC(=O)OC
InChIInChI=1S/C11H18N2O6/c1-7(13-9(15)5-11(17)19-3)6-12-8(14)4-10(16)18-2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyLZSOYBNMLOIPLL-UHFFFAOYSA-N
XLogP-1.27
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(propanoylamino)propyl]propanamide
CID 3569677
N-[1-[[2-(methylamino)acetyl]amino]propan-2-yl]propanamide
CID 155070806
methyl 3,4-dioxo-4-[1-(propanoylamino)propan-2-ylsulfanyl]butanoate
CID 129026428
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-naphthalen-2-yloxy-N-[2-[(2-naphthalen-2-yloxyacetyl)amino]propyl]acetamide
CID 3635526
3-methoxy-N-[2-(methylamino)propyl]propanamide
CID 103512714
ethyl (2S)-3-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylpropanoate
CID 86326306
N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
CID 101217114
methyl 3-(propan-2-ylcarbamothioylamino)propanoate
CID 115577210
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate?
The IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate (CID 10378628) is methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate?
The canonical SMILES for methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate is COC(=O)CC(=O)NCC(C)NC(=O)CC(=O)OC.
What is the InChIKey of methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate?
The InChIKey is LZSOYBNMLOIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(13-9(15)5-11(17)19-3)6-12-8(14)4-10(16)18-2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate?
methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate has a molecular weight of 274.27 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(3-methoxy-3-oxopropanoyl)amino]propylamino]-3-oxopropanoate is sourced from PubChem (CID 10378628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).