methyl 3-[ethyl(hydroxy)amino]propanoate

C6H13NO3 — CID 131223407

IUPACmethyl 3-[ethyl(hydroxy)amino]propanoate
SMILESCCN(O)CCC(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-7(9)5-4-6(8)10-2/h9H,3-5H2,1-2H3
InChIKeyISYXJYCPJUZGPL-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.26
Rot. Bonds4

About methyl 3-[ethyl(hydroxy)amino]propanoate

methyl 3-[ethyl(hydroxy)amino]propanoate (PubChem CID 131223407) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 3-[ethyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(hydroxy)amino]propanoate
PubChem CID131223407
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 3-[ethyl(hydroxy)amino]propanoate
SMILESCCN(O)CCC(=O)OC
InChIInChI=1S/C6H13NO3/c1-3-7(9)5-4-6(8)10-2/h9H,3-5H2,1-2H3
InChIKeyISYXJYCPJUZGPL-UHFFFAOYSA-N
XLogP0.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate
CID 114811511
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
CID 175531341
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
chromium;methyl butanoate
CID 174781983

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(hydroxy)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(hydroxy)amino]propanoate (CID 131223407) is methyl 3-[ethyl(hydroxy)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(hydroxy)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(hydroxy)amino]propanoate is CCN(O)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(hydroxy)amino]propanoate?
The InChIKey is ISYXJYCPJUZGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7(9)5-4-6(8)10-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 3-[ethyl(hydroxy)amino]propanoate?
methyl 3-[ethyl(hydroxy)amino]propanoate has a molecular weight of 147.17 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(hydroxy)amino]propanoate is sourced from PubChem (CID 131223407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).