methyl 3-acetamido-5-methylhexanoate

C10H19NO3 — CID 11637028

IUPACmethyl 3-acetamido-5-methylhexanoate
SMILESCOC(=O)CC(CC(C)C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(11-8(3)12)6-10(13)14-4/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyGEFIJIYCRPRTIV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds5

About methyl 3-acetamido-5-methylhexanoate

methyl 3-acetamido-5-methylhexanoate (PubChem CID 11637028) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-acetamido-5-methylhexanoate.

Molecular Properties

Compound Namemethyl 3-acetamido-5-methylhexanoate
PubChem CID11637028
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-acetamido-5-methylhexanoate
SMILESCOC(=O)CC(CC(C)C)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(11-8(3)12)6-10(13)14-4/h7,9H,5-6H2,1-4H3,(H,11,12)
InChIKeyGEFIJIYCRPRTIV-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Acetamido-3-aminohexanoate
CID 25203588
(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
CID 23630523
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
CID 23630821
Methyl 2-(5-oxopyrrolidin-2-yl)propanoate
CID 70510384
(3S)-6-acetamido-3-aminohexanoate
CID 129011075
3-Acetamido-5,5-dimethylhexanoic acid
CID 10442807
methyl (3S)-5-methyl-3-(methylamino)hexanoate hydrochloride
CID 167728182
methyl (3R,4S)-4-methyl-3-(methylamino)hexanoate hydrochloride
CID 177799534
methyl (3R)-5-methyl-3-(methylamino)hexanoate hydrochloride
CID 177799618
Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester
CID 9877672
Methyl 3-acetamido-4,4-dimethylpentanoate
CID 9942435
ethyl (3S)-3-acetamido-4-methylpentanoate
CID 11356125

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamido-5-methylhexanoate?
The IUPAC name of methyl 3-acetamido-5-methylhexanoate (CID 11637028) is methyl 3-acetamido-5-methylhexanoate.
What is the SMILES notation for methyl 3-acetamido-5-methylhexanoate?
The canonical SMILES for methyl 3-acetamido-5-methylhexanoate is COC(=O)CC(CC(C)C)NC(C)=O.
What is the InChIKey of methyl 3-acetamido-5-methylhexanoate?
The InChIKey is GEFIJIYCRPRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)5-9(11-8(3)12)6-10(13)14-4/h7,9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of methyl 3-acetamido-5-methylhexanoate?
methyl 3-acetamido-5-methylhexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetamido-5-methylhexanoate is sourced from PubChem (CID 11637028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).