methyl 2-acetamido-3-(ethoxyamino)propanoate

C8H16N2O4 — CID 103254521

IUPACmethyl 2-acetamido-3-(ethoxyamino)propanoate
SMILESCCONCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-14-9-5-7(8(12)13-3)10-6(2)11/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVXGVZWXMADVROE-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.79
Rot. Bonds6

About methyl 2-acetamido-3-(ethoxyamino)propanoate

methyl 2-acetamido-3-(ethoxyamino)propanoate (PubChem CID 103254521) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-acetamido-3-(ethoxyamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(ethoxyamino)propanoate
PubChem CID103254521
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namemethyl 2-acetamido-3-(ethoxyamino)propanoate
SMILESCCONCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-4-14-9-5-7(8(12)13-3)10-6(2)11/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyVXGVZWXMADVROE-UHFFFAOYSA-N
XLogP-0.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-(2-ethoxyethylamino)propanoate
CID 103230126
methyl (2S)-2-acetamidobutanoate
CID 11084154
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
methyl 2-acetamido-3-(2-butoxyethylamino)propanoate
CID 103242734
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(ethoxyamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(ethoxyamino)propanoate (CID 103254521) is methyl 2-acetamido-3-(ethoxyamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(ethoxyamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(ethoxyamino)propanoate is CCONCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-(ethoxyamino)propanoate?
The InChIKey is VXGVZWXMADVROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4-14-9-5-7(8(12)13-3)10-6(2)11/h7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of methyl 2-acetamido-3-(ethoxyamino)propanoate?
methyl 2-acetamido-3-(ethoxyamino)propanoate has a molecular weight of 204.23 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(ethoxyamino)propanoate is sourced from PubChem (CID 103254521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).