methyl 3-(methylaminomethoxy)propanoate

C6H13NO3 — CID 87763431

IUPACmethyl 3-(methylaminomethoxy)propanoate
SMILESCNCOCCC(=O)OC
InChIInChI=1S/C6H13NO3/c1-7-5-10-4-3-6(8)9-2/h7H,3-5H2,1-2H3
InChIKeyUVLOTVSNSMNIAZ-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.26
Rot. Bonds5

About methyl 3-(methylaminomethoxy)propanoate

methyl 3-(methylaminomethoxy)propanoate (PubChem CID 87763431) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl 3-(methylaminomethoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(methylaminomethoxy)propanoate
PubChem CID87763431
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl 3-(methylaminomethoxy)propanoate
SMILESCNCOCCC(=O)OC
InChIInChI=1S/C6H13NO3/c1-7-5-10-4-3-6(8)9-2/h7H,3-5H2,1-2H3
InChIKeyUVLOTVSNSMNIAZ-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-(methylaminomethoxy)propanoate?
The IUPAC name of methyl 3-(methylaminomethoxy)propanoate (CID 87763431) is methyl 3-(methylaminomethoxy)propanoate.
What is the SMILES notation for methyl 3-(methylaminomethoxy)propanoate?
The canonical SMILES for methyl 3-(methylaminomethoxy)propanoate is CNCOCCC(=O)OC.
What is the InChIKey of methyl 3-(methylaminomethoxy)propanoate?
The InChIKey is UVLOTVSNSMNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-5-10-4-3-6(8)9-2/h7H,3-5H2,1-2H3.
What are the key properties of methyl 3-(methylaminomethoxy)propanoate?
methyl 3-(methylaminomethoxy)propanoate has a molecular weight of 147.17 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylaminomethoxy)propanoate is sourced from PubChem (CID 87763431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).