methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate

C10H20N2O3 — CID 103722524

IUPACmethyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
SMILESCNC(=O)C(C)CN(C)C(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-7(9(13)11-3)6-12(4)8(2)10(14)15-5/h7-8H,6H2,1-5H3,(H,11,13)
InChIKeyCFLRZIULNWGFGE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.14
Rot. Bonds5

About methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate

methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate (PubChem CID 103722524) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
PubChem CID103722524
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
SMILESCNC(=O)C(C)CN(C)C(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-7(9(13)11-3)6-12(4)8(2)10(14)15-5/h7-8H,6H2,1-5H3,(H,11,13)
InChIKeyCFLRZIULNWGFGE-UHFFFAOYSA-N
XLogP-0.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
CID 97237748
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide
CID 143156667
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate?
The IUPAC name of methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate (CID 103722524) is methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate.
What is the SMILES notation for methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate?
The canonical SMILES for methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate is CNC(=O)C(C)CN(C)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate?
The InChIKey is CFLRZIULNWGFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(9(13)11-3)6-12(4)8(2)10(14)15-5/h7-8H,6H2,1-5H3,(H,11,13).
What are the key properties of methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate?
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate has a molecular weight of 216.28 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 103722524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).