ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate

C9H18N2O4 — CID 79478891

IUPACethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COCCN
InChIInChI=1S/C9H18N2O4/c1-2-15-9(13)3-5-11-8(12)7-14-6-4-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyYRUNJCJZJRMFOO-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.97
Rot. Bonds8

About ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate

ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate (PubChem CID 79478891) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
PubChem CID79478891
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nameethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COCCN
InChIInChI=1S/C9H18N2O4/c1-2-15-9(13)3-5-11-8(12)7-14-6-4-10/h2-7,10H2,1H3,(H,11,12)
InChIKeyYRUNJCJZJRMFOO-UHFFFAOYSA-N
XLogP-0.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
3-aminopropyl 3-[3-[2-[2-[2-(ethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoylamino]propanoate
CID 175882329
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
CID 142904626
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate (CID 79478891) is ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)COCCN.
What is the InChIKey of ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate?
The InChIKey is YRUNJCJZJRMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-2-15-9(13)3-5-11-8(12)7-14-6-4-10/h2-7,10H2,1H3,(H,11,12).
What are the key properties of ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate?
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate has a molecular weight of 218.25 g/mol, XLogP of -0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate is sourced from PubChem (CID 79478891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).