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

C9H17NO5 — CID 589626

IUPACmethyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)OC
InChIInChI=1S/C9H17NO5/c1-13-8(11)4-6-10(15-3)7-5-9(12)14-2/h4-7H2,1-3H3
InChIKeyRVFLYNFFAHLVLR-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.02
Rot. Bonds7

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

methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate (PubChem CID 589626) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate
PubChem CID589626
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)OC
InChIInChI=1S/C9H17NO5/c1-13-8(11)4-6-10(15-3)7-5-9(12)14-2/h4-7H2,1-3H3
InChIKeyRVFLYNFFAHLVLR-UHFFFAOYSA-N
XLogP-0.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate (CID 589626) is methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate is COC(=O)CCN(CCC(=O)OC)OC.
What is the InChIKey of methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The InChIKey is RVFLYNFFAHLVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-13-8(11)4-6-10(15-3)7-5-9(12)14-2/h4-7H2,1-3H3.
What are the key properties of methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate?
methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate has a molecular weight of 219.24 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methoxy-(3-methoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 589626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).