methyl 5-acetamido-5-methylhexanoate

C10H19NO3 — CID 71347586

IUPACmethyl 5-acetamido-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-8(12)11-10(2,3)7-5-6-9(13)14-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyRMUDSGFCNTUJBN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds5

About methyl 5-acetamido-5-methylhexanoate

methyl 5-acetamido-5-methylhexanoate (PubChem CID 71347586) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 5-acetamido-5-methylhexanoate.

Molecular Properties

Compound Namemethyl 5-acetamido-5-methylhexanoate
PubChem CID71347586
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 5-acetamido-5-methylhexanoate
SMILESCOC(=O)CCCC(C)(C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-8(12)11-10(2,3)7-5-6-9(13)14-4/h5-7H2,1-4H3,(H,11,12)
InChIKeyRMUDSGFCNTUJBN-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896
methyl 5,5-dimethyl-9-oxodecanoate
CID 549826
dimethyl 2,2-dimethylhexanedioate
CID 28400
methyl 6,6-dimethylheptanoate
CID 20777196
azane;methyl 5,5-dimethylheptanoate
CID 174428113
methyl 4-acetamido-4-acetyl-5-oxohexanoate
CID 121224147
methyl 5-hydroxy-5-hydroxysulfanylhexanoate
CID 130285719
dimethyl 5,5,14,14-tetramethyl-8,11-dioxooctadecanedioate
CID 89313630
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-5-methylhexanoate?
The IUPAC name of methyl 5-acetamido-5-methylhexanoate (CID 71347586) is methyl 5-acetamido-5-methylhexanoate.
What is the SMILES notation for methyl 5-acetamido-5-methylhexanoate?
The canonical SMILES for methyl 5-acetamido-5-methylhexanoate is COC(=O)CCCC(C)(C)NC(C)=O.
What is the InChIKey of methyl 5-acetamido-5-methylhexanoate?
The InChIKey is RMUDSGFCNTUJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(12)11-10(2,3)7-5-6-9(13)14-4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of methyl 5-acetamido-5-methylhexanoate?
methyl 5-acetamido-5-methylhexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-5-methylhexanoate is sourced from PubChem (CID 71347586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).