methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate

C9H16N2O4 — CID 10798751

IUPACmethyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
SMILESCNC(=O)CNC(=O)CCCC(=O)OC
InChIInChI=1S/C9H16N2O4/c1-10-8(13)6-11-7(12)4-3-5-9(14)15-2/h3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHTABJOFKMICYJZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.81
Rot. Bonds6

About methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate

methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate (PubChem CID 10798751) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
PubChem CID10798751
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
SMILESCNC(=O)CNC(=O)CCCC(=O)OC
InChIInChI=1S/C9H16N2O4/c1-10-8(13)6-11-7(12)4-3-5-9(14)15-2/h3-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHTABJOFKMICYJZ-UHFFFAOYSA-N
XLogP-0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
CID 146653603
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate (CID 10798751) is methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate is CNC(=O)CNC(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate?
The InChIKey is HTABJOFKMICYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10-8(13)6-11-7(12)4-3-5-9(14)15-2/h3-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate?
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate has a molecular weight of 216.24 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate is sourced from PubChem (CID 10798751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).