methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate

C8H15NO5 — CID 86009975

IUPACmethyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate
SMILESCOCN(C(=O)OC)C(C)C(=O)OC
InChIInChI=1S/C8H15NO5/c1-6(7(10)13-3)9(5-12-2)8(11)14-4/h6H,5H2,1-4H3
InChIKeyFGWHJARQYVKQAF-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.22
Rot. Bonds4

About methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate

methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate (PubChem CID 86009975) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate
PubChem CID86009975
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namemethyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate
SMILESCOCN(C(=O)OC)C(C)C(=O)OC
InChIInChI=1S/C8H15NO5/c1-6(7(10)13-3)9(5-12-2)8(11)14-4/h6H,5H2,1-4H3
InChIKeyFGWHJARQYVKQAF-UHFFFAOYSA-N
XLogP0.22
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate?
The IUPAC name of methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate (CID 86009975) is methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate.
What is the SMILES notation for methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate?
The canonical SMILES for methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate is COCN(C(=O)OC)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate?
The InChIKey is FGWHJARQYVKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-6(7(10)13-3)9(5-12-2)8(11)14-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate?
methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate has a molecular weight of 205.21 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methoxycarbonyl(methoxymethyl)amino]propanoate is sourced from PubChem (CID 86009975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).