methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate

C11H19NO5 — CID 58159450

IUPACmethyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate
SMILESCOC(=O)CC(=O)NCCOCCCC(C)=O
InChIInChI=1S/C11H19NO5/c1-9(13)4-3-6-17-7-5-12-10(14)8-11(15)16-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyUFLRYXFJMNTALE-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.05
Rot. Bonds9

About methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate

methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate (PubChem CID 58159450) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate
PubChem CID58159450
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate
SMILESCOC(=O)CC(=O)NCCOCCCC(C)=O
InChIInChI=1S/C11H19NO5/c1-9(13)4-3-6-17-7-5-12-10(14)8-11(15)16-2/h3-8H2,1-2H3,(H,12,14)
InChIKeyUFLRYXFJMNTALE-UHFFFAOYSA-N
XLogP0.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[[2-[2-(4-oxopentoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 157314738
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796
bis(2-acetyloxyethyl acetate);methane;N-(3-oxobutyl)acetamide;N-[2-(4-oxopentoxy)ethyl]acetamide
CID 162073113
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
2-[2-[3-[2-[(3-methoxy-3-oxopropanoyl)amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
CID 58882709
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate?
The IUPAC name of methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate (CID 58159450) is methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate.
What is the SMILES notation for methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate?
The canonical SMILES for methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate is COC(=O)CC(=O)NCCOCCCC(C)=O.
What is the InChIKey of methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate?
The InChIKey is UFLRYXFJMNTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-9(13)4-3-6-17-7-5-12-10(14)8-11(15)16-2/h3-8H2,1-2H3,(H,12,14).
What are the key properties of methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate?
methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate has a molecular weight of 245.27 g/mol, XLogP of 0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3-[2-(4-oxopentoxy)ethylamino]propanoate is sourced from PubChem (CID 58159450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).