methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate

C13H27NO4 — CID 79406838

IUPACmethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate
SMILESCOCCCN(CCOC)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-11(13(15)18-5)12(2)14(8-10-17-4)7-6-9-16-3/h11-12H,6-10H2,1-5H3
InChIKeyQDSGZPWEBHTRMC-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.17
Rot. Bonds10

About methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate

methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate (PubChem CID 79406838) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate
PubChem CID79406838
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Namemethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate
SMILESCOCCCN(CCOC)C(C)C(C)C(=O)OC
InChIInChI=1S/C13H27NO4/c1-11(13(15)18-5)12(2)14(8-10-17-4)7-6-9-16-3/h11-12H,6-10H2,1-5H3
InChIKeyQDSGZPWEBHTRMC-UHFFFAOYSA-N
XLogP1.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate (CID 79406838) is methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate is COCCCN(CCOC)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate?
The InChIKey is QDSGZPWEBHTRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-11(13(15)18-5)12(2)14(8-10-17-4)7-6-9-16-3/h11-12H,6-10H2,1-5H3.
What are the key properties of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate?
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate has a molecular weight of 261.36 g/mol, XLogP of 1.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylbutanoate is sourced from PubChem (CID 79406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).