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

C11H23NO4 — CID 60649296

IUPACmethyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
SMILESCOCCN(CCOC)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-10(11(13)16-4)9-12(5-7-14-2)6-8-15-3/h10H,5-9H2,1-4H3
InChIKeyABPKECXSRWPNBX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.39
Rot. Bonds9

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

methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate (PubChem CID 60649296) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
PubChem CID60649296
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
SMILESCOCCN(CCOC)CC(C)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-10(11(13)16-4)9-12(5-7-14-2)6-8-15-3/h10H,5-9H2,1-4H3
InChIKeyABPKECXSRWPNBX-UHFFFAOYSA-N
XLogP0.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
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
methyl 3-[bis(2-methoxyethyl)amino]-2-bromopropanoate
CID 81099418
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate (CID 60649296) is methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate is COCCN(CCOC)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate?
The InChIKey is ABPKECXSRWPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(11(13)16-4)9-12(5-7-14-2)6-8-15-3/h10H,5-9H2,1-4H3.
What are the key properties of methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate?
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 0.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate is sourced from PubChem (CID 60649296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).