methyl 6-oxo-6-(2-oxopropylamino)hexanoate

C10H17NO4 — CID 166976916

IUPACmethyl 6-oxo-6-(2-oxopropylamino)hexanoate
SMILESCOC(=O)CCCCC(=O)NCC(C)=O
InChIInChI=1S/C10H17NO4/c1-8(12)7-11-9(13)5-3-4-6-10(14)15-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyWGPLDWRXJGPWPY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.43
Rot. Bonds7

About methyl 6-oxo-6-(2-oxopropylamino)hexanoate

methyl 6-oxo-6-(2-oxopropylamino)hexanoate (PubChem CID 166976916) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 6-oxo-6-(2-oxopropylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-oxo-6-(2-oxopropylamino)hexanoate
PubChem CID166976916
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 6-oxo-6-(2-oxopropylamino)hexanoate
SMILESCOC(=O)CCCCC(=O)NCC(C)=O
InChIInChI=1S/C10H17NO4/c1-8(12)7-11-9(13)5-3-4-6-10(14)15-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyWGPLDWRXJGPWPY-UHFFFAOYSA-N
XLogP0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
methyl 7-oxooctanoate
CID 539108
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
CID 146653603
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-6-(2-oxopropylamino)hexanoate?
The IUPAC name of methyl 6-oxo-6-(2-oxopropylamino)hexanoate (CID 166976916) is methyl 6-oxo-6-(2-oxopropylamino)hexanoate.
What is the SMILES notation for methyl 6-oxo-6-(2-oxopropylamino)hexanoate?
The canonical SMILES for methyl 6-oxo-6-(2-oxopropylamino)hexanoate is COC(=O)CCCCC(=O)NCC(C)=O.
What is the InChIKey of methyl 6-oxo-6-(2-oxopropylamino)hexanoate?
The InChIKey is WGPLDWRXJGPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(12)7-11-9(13)5-3-4-6-10(14)15-2/h3-7H2,1-2H3,(H,11,13).
What are the key properties of methyl 6-oxo-6-(2-oxopropylamino)hexanoate?
methyl 6-oxo-6-(2-oxopropylamino)hexanoate has a molecular weight of 215.25 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-6-(2-oxopropylamino)hexanoate is sourced from PubChem (CID 166976916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).