methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate

C12H21NO4 — CID 77231289

IUPACmethyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)9(14)8-13-10(15)6-5-7-11(16)17-4/h5-8H2,1-4H3,(H,13,15)
InChIKeyADLGJOWURNWVQY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.06
Rot. Bonds6

About methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate

methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate (PubChem CID 77231289) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
PubChem CID77231289
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C12H21NO4/c1-12(2,3)9(14)8-13-10(15)6-5-7-11(16)17-4/h5-8H2,1-4H3,(H,13,15)
InChIKeyADLGJOWURNWVQY-UHFFFAOYSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
CID 162006566
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 58062415
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate (CID 77231289) is methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate is COC(=O)CCCC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate?
The InChIKey is ADLGJOWURNWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)9(14)8-13-10(15)6-5-7-11(16)17-4/h5-8H2,1-4H3,(H,13,15).
What are the key properties of methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate?
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate has a molecular weight of 243.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate is sourced from PubChem (CID 77231289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).