methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate

C10H21NO3 — CID 139456191

IUPACmethyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate
SMILESCCC(CCNC)(COC)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-10(8-13-3,6-7-11-2)9(12)14-4/h11H,5-8H2,1-4H3
InChIKeyGLKGQIVROUANHL-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.81
Rot. Bonds7

About methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate

methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate (PubChem CID 139456191) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate
PubChem CID139456191
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate
SMILESCCC(CCNC)(COC)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-5-10(8-13-3,6-7-11-2)9(12)14-4/h11H,5-8H2,1-4H3
InChIKeyGLKGQIVROUANHL-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-2,2-diethylpentanoate
CID 18784900
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
methyl 2,2-diethyl-10-hydroxydecanoate
CID 154931124
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
ethane;methyl 2-ethyl-2-[(3-methylbutylamino)methyl]butanoate
CID 142089934
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl 2-tert-butyl-2-(methoxymethyl)-3,3-dimethylbutanoate
CID 87162780

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate?
The IUPAC name of methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate (CID 139456191) is methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate.
What is the SMILES notation for methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate?
The canonical SMILES for methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate is CCC(CCNC)(COC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate?
The InChIKey is GLKGQIVROUANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-10(8-13-3,6-7-11-2)9(12)14-4/h11H,5-8H2,1-4H3.
What are the key properties of methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate?
methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(methoxymethyl)-4-(methylamino)butanoate is sourced from PubChem (CID 139456191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).