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

C12H25NO4 — CID 54989932

IUPACmethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
SMILESCOCCCN(CCOC)CC(C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-11(12(14)17-4)10-13(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3
InChIKeyGEKXWDPZIXVZPL-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.78
Rot. Bonds10

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

methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate (PubChem CID 54989932) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
PubChem CID54989932
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
SMILESCOCCCN(CCOC)CC(C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-11(12(14)17-4)10-13(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3
InChIKeyGEKXWDPZIXVZPL-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
methyl 3-[bis(2-methoxyethyl)amino]-2-bromopropanoate
CID 81099418
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
CID 82330702
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
CID 63055708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate (CID 54989932) is methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate is COCCCN(CCOC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate?
The InChIKey is GEKXWDPZIXVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(12(14)17-4)10-13(7-9-16-3)6-5-8-15-2/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate?
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate has a molecular weight of 247.33 g/mol, XLogP of 0.78, 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-methylpropanoate is sourced from PubChem (CID 54989932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).