ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate

C10H20N2O4 — CID 79282260

IUPACethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CNCCOC
InChIInChI=1S/C10H20N2O4/c1-4-16-10(14)8(2)12-9(13)7-11-5-6-15-3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyJWHGJVBBDPMSBH-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.71
Rot. Bonds8

About ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate

ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate (PubChem CID 79282260) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
PubChem CID79282260
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CNCCOC
InChIInChI=1S/C10H20N2O4/c1-4-16-10(14)8(2)12-9(13)7-11-5-6-15-3/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyJWHGJVBBDPMSBH-UHFFFAOYSA-N
XLogP-0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.71
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

N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide
CID 114113781
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119796579
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
CID 119785054
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate (CID 79282260) is ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)CNCCOC.
What is the InChIKey of ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate?
The InChIKey is JWHGJVBBDPMSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-16-10(14)8(2)12-9(13)7-11-5-6-15-3/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate?
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate has a molecular weight of 232.28 g/mol, XLogP of -0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate is sourced from PubChem (CID 79282260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).