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

C9H18N2O3 — CID 61464916

IUPACmethyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCNC(=O)C(C)NCC(C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-6(9(13)14-4)5-11-7(2)8(12)10-3/h6-7,11H,5H2,1-4H3,(H,10,12)
InChIKeyYVFXVRMUCSCOJP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.48
Rot. Bonds5

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

methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 61464916) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID61464916
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCNC(=O)C(C)NCC(C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-6(9(13)14-4)5-11-7(2)8(12)10-3/h6-7,11H,5H2,1-4H3,(H,10,12)
InChIKeyYVFXVRMUCSCOJP-UHFFFAOYSA-N
XLogP-0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103262789
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
N-methyl-2-(prop-2-ynylamino)propanamide
CID 43086395

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate (CID 61464916) is methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is CNC(=O)C(C)NCC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is YVFXVRMUCSCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(9(13)14-4)5-11-7(2)8(12)10-3/h6-7,11H,5H2,1-4H3,(H,10,12).
What are the key properties of methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate?
methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 61464916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).