ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate

C13H25NO7 — CID 10924821

IUPACethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)OCCOCCOCCOC
InChIInChI=1S/C13H25NO7/c1-3-20-12(15)4-5-14-13(16)21-11-10-19-9-8-18-7-6-17-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyVFTYKPSDTVVOIU-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.35
Rot. Bonds13

About ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate

ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate (PubChem CID 10924821) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
PubChem CID10924821
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Nameethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
SMILESCCOC(=O)CCNC(=O)OCCOCCOCCOC
InChIInChI=1S/C13H25NO7/c1-3-20-12(15)4-5-14-13(16)21-11-10-19-9-8-18-7-6-17-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyVFTYKPSDTVVOIU-UHFFFAOYSA-N
XLogP0.35
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
CID 79478891
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 58331196
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
3-aminopropyl 3-[3-[2-[2-[2-(ethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoylamino]propanoate
CID 175882329

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate (CID 10924821) is ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate is CCOC(=O)CCNC(=O)OCCOCCOCCOC.
What is the InChIKey of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate?
The InChIKey is VFTYKPSDTVVOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO7/c1-3-20-12(15)4-5-14-13(16)21-11-10-19-9-8-18-7-6-17-2/h3-11H2,1-2H3,(H,14,16).
What are the key properties of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate?
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate has a molecular weight of 307.34 g/mol, XLogP of 0.35, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate is sourced from PubChem (CID 10924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).