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

C11H22N2O3 — CID 23388627

IUPACmethyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate
SMILESCNC(CN(C)CC(=O)C(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-8(2)10(14)7-13(4)6-9(12-3)11(15)16-5/h8-9,12H,6-7H2,1-5H3
InChIKeyIWYCOLPEVLVLID-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.10
Rot. Bonds7

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

methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate (PubChem CID 23388627) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate
PubChem CID23388627
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate
SMILESCNC(CN(C)CC(=O)C(C)C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-8(2)10(14)7-13(4)6-9(12-3)11(15)16-5/h8-9,12H,6-7H2,1-5H3
InChIKeyIWYCOLPEVLVLID-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate?
The IUPAC name of methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate (CID 23388627) is methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate.
What is the SMILES notation for methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate?
The canonical SMILES for methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate is CNC(CN(C)CC(=O)C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate?
The InChIKey is IWYCOLPEVLVLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)10(14)7-13(4)6-9(12-3)11(15)16-5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate?
methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-3-[methyl-(3-methyl-2-oxobutyl)amino]propanoate is sourced from PubChem (CID 23388627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).