methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate

C10H20N2O3 — CID 62900263

IUPACmethyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
SMILESCCC(C(N)=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(9(11)13)12(3)6-7(2)10(14)15-4/h7-8H,5-6H2,1-4H3,(H2,11,13)
InChIKeyYRTZLECHHUXFEF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds6

About methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate

methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate (PubChem CID 62900263) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
PubChem CID62900263
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
SMILESCCC(C(N)=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(9(11)13)12(3)6-7(2)10(14)15-4/h7-8H,5-6H2,1-4H3,(H2,11,13)
InChIKeyYRTZLECHHUXFEF-UHFFFAOYSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
2-[2-methoxyethyl(methyl)amino]butanamide
CID 62900283
methyl (2S)-3-(dipropylamino)-2-methylpropanoate
CID 92938899
methyl 3-(dipropylamino)-2-methylpropanoate
CID 3015534
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
2-[methyl(propyl)amino]butanamide
CID 62900463
methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
CID 79024253
methyl 2-(dimethylamino)butanoate
CID 14644900
ethane;methyl 2-[ethyl(methyl)amino]butanoate
CID 145131667
ethane;methyl (2R)-2-methylbutanoate
CID 143689114

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate (CID 62900263) is methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate is CCC(C(N)=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate?
The InChIKey is YRTZLECHHUXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-8(9(11)13)12(3)6-7(2)10(14)15-4/h7-8H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate?
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 62900263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).