methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate

C10H20N2O3 — CID 62013602

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

About methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate

methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 62013602) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID62013602
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCNC(=O)C(C)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-7(10(14)15-5)6-12(4)8(2)9(13)11-3/h7-8H,6H2,1-5H3,(H,11,13)
InChIKeyYONJPOKKTSTTOZ-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (CID 62013602) is methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is CNC(=O)C(C)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is YONJPOKKTSTTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(10(14)15-5)6-12(4)8(2)9(13)11-3/h7-8H,6H2,1-5H3,(H,11,13).
What are the key properties of methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]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-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 62013602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).