ethyl 3-(ethoxyamino)-2-methylpropanoate

C8H17NO3 — CID 64974924

IUPACethyl 3-(ethoxyamino)-2-methylpropanoate
SMILESCCONCC(C)C(=O)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)7(3)6-9-12-5-2/h7,9H,4-6H2,1-3H3
InChIKeyWPQUJSJLTJHJED-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.73
Rot. Bonds6

About ethyl 3-(ethoxyamino)-2-methylpropanoate

ethyl 3-(ethoxyamino)-2-methylpropanoate (PubChem CID 64974924) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl 3-(ethoxyamino)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(ethoxyamino)-2-methylpropanoate
PubChem CID64974924
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl 3-(ethoxyamino)-2-methylpropanoate
SMILESCCONCC(C)C(=O)OCC
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)7(3)6-9-12-5-2/h7,9H,4-6H2,1-3H3
InChIKeyWPQUJSJLTJHJED-UHFFFAOYSA-N
XLogP0.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
ethyl (2S)-3-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylpropanoate
CID 86326306
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanoate
CID 79357961
CID 89060665
CID 89060665
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxyamino)-2-methylpropanoate?
The IUPAC name of ethyl 3-(ethoxyamino)-2-methylpropanoate (CID 64974924) is ethyl 3-(ethoxyamino)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(ethoxyamino)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(ethoxyamino)-2-methylpropanoate is CCONCC(C)C(=O)OCC.
What is the InChIKey of ethyl 3-(ethoxyamino)-2-methylpropanoate?
The InChIKey is WPQUJSJLTJHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-8(10)7(3)6-9-12-5-2/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(ethoxyamino)-2-methylpropanoate?
ethyl 3-(ethoxyamino)-2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxyamino)-2-methylpropanoate is sourced from PubChem (CID 64974924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).