methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate

C10H20N2O4 — CID 12057948

IUPACmethyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
SMILESCOC(=O)CCNCCNCCC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-15-9(13)3-5-11-7-8-12-6-4-10(14)16-2/h11-12H,3-8H2,1-2H3
InChIKeyCAZYHVVNIIBSSY-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.71
Rot. Bonds9

About methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate

methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate (PubChem CID 12057948) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
PubChem CID12057948
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
SMILESCOC(=O)CCNCCNCCC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-15-9(13)3-5-11-7-8-12-6-4-10(14)16-2/h11-12H,3-8H2,1-2H3
InChIKeyCAZYHVVNIIBSSY-UHFFFAOYSA-N
XLogP-0.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate?
The IUPAC name of methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate (CID 12057948) is methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate is COC(=O)CCNCCNCCC(=O)OC.
What is the InChIKey of methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate?
The InChIKey is CAZYHVVNIIBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-15-9(13)3-5-11-7-8-12-6-4-10(14)16-2/h11-12H,3-8H2,1-2H3.
What are the key properties of methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate?
methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate has a molecular weight of 232.28 g/mol, XLogP of -0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate is sourced from PubChem (CID 12057948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).