methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate

C10H17NO4 — CID 166744253

IUPACmethyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
SMILESCOC(=O)CCC(=O)C(=O)NCC(C)C
InChIInChI=1S/C10H17NO4/c1-7(2)6-11-10(14)8(12)4-5-9(13)15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyDREVSFSGUBIUSO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.28
Rot. Bonds6

About methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate

methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate (PubChem CID 166744253) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
PubChem CID166744253
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
SMILESCOC(=O)CCC(=O)C(=O)NCC(C)C
InChIInChI=1S/C10H17NO4/c1-7(2)6-11-10(14)8(12)4-5-9(13)15-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyDREVSFSGUBIUSO-UHFFFAOYSA-N
XLogP0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
methyl 2-(2-methylpropylamino)acetate
CID 22175789
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323
4-methoxy-4-oxobutanoate
CID 6930703
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
methyl 3-[2-[3-[2-[bis[3-[2-[bis[3-[2-[bis[3-(2-methylpropylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 11788243
methyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 112691943
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
dimethyl 4-methylheptanedioate
CID 521222
1-(diaminomethylidene)-3-(2-methylpropyl)urea
CID 18722015
2-methylpropylcarbamoyl propanoate
CID 91372845

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate?
The IUPAC name of methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate (CID 166744253) is methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate.
What is the SMILES notation for methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate?
The canonical SMILES for methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate is COC(=O)CCC(=O)C(=O)NCC(C)C.
What is the InChIKey of methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate?
The InChIKey is DREVSFSGUBIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)6-11-10(14)8(12)4-5-9(13)15-3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate?
methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate has a molecular weight of 215.25 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate is sourced from PubChem (CID 166744253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).