ethyl 3-(methoxyamino)propanoate

C6H13NO3 — CID 60702588

IUPACethyl 3-(methoxyamino)propanoate
SMILESCCOC(=O)CCNOC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)4-5-7-9-2/h7H,3-5H2,1-2H3
InChIKeyPABUICXWVJQOCY-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.09
Rot. Bonds5

About ethyl 3-(methoxyamino)propanoate

ethyl 3-(methoxyamino)propanoate (PubChem CID 60702588) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl 3-(methoxyamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(methoxyamino)propanoate
PubChem CID60702588
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl 3-(methoxyamino)propanoate
SMILESCCOC(=O)CCNOC
InChIInChI=1S/C6H13NO3/c1-3-10-6(8)4-5-7-9-2/h7H,3-5H2,1-2H3
InChIKeyPABUICXWVJQOCY-UHFFFAOYSA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.09
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxyamino)propanoate?
The IUPAC name of ethyl 3-(methoxyamino)propanoate (CID 60702588) is ethyl 3-(methoxyamino)propanoate.
What is the SMILES notation for ethyl 3-(methoxyamino)propanoate?
The canonical SMILES for ethyl 3-(methoxyamino)propanoate is CCOC(=O)CCNOC.
What is the InChIKey of ethyl 3-(methoxyamino)propanoate?
The InChIKey is PABUICXWVJQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-10-6(8)4-5-7-9-2/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(methoxyamino)propanoate?
ethyl 3-(methoxyamino)propanoate has a molecular weight of 147.17 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxyamino)propanoate is sourced from PubChem (CID 60702588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).