ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate

C12H20N2O4 — CID 79287392

IUPACethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
SMILESC#CCNCC(=O)N(CCOC)CC(=O)OCC
InChIInChI=1S/C12H20N2O4/c1-4-6-13-9-11(15)14(7-8-17-3)10-12(16)18-5-2/h1,13H,5-10H2,2-3H3
InChIKeyZAJCOPMLTHUPJA-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.75
Rot. Bonds9

About ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate

ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate (PubChem CID 79287392) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
PubChem CID79287392
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
SMILESC#CCNCC(=O)N(CCOC)CC(=O)OCC
InChIInChI=1S/C12H20N2O4/c1-4-6-13-9-11(15)14(7-8-17-3)10-12(16)18-5-2/h1,13H,5-10H2,2-3H3
InChIKeyZAJCOPMLTHUPJA-UHFFFAOYSA-N
XLogP-0.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
2-(butylamino)-N-(2-methoxyethyl)-N-[2-[2-methoxyethyl(2-oxopropyl)amino]-2-oxoethyl]acetamide
CID 170232279
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
N-(1-methoxypropan-2-yl)-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79287394
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate (CID 79287392) is ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate is C#CCNCC(=O)N(CCOC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate?
The InChIKey is ZAJCOPMLTHUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-6-13-9-11(15)14(7-8-17-3)10-12(16)18-5-2/h1,13H,5-10H2,2-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate has a molecular weight of 256.30 g/mol, XLogP of -0.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate is sourced from PubChem (CID 79287392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).