3-(acetamidomethyl)-5-methylheptanoic acid

C11H21NO3 — CID 11333384

IUPAC3-(acetamidomethyl)-5-methylheptanoic acid
SMILESCCC(C)CC(CNC(C)=O)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-8(2)5-10(6-11(14)15)7-12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWPRUOFPELZLOBA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds7

About 3-(acetamidomethyl)-5-methylheptanoic acid

3-(acetamidomethyl)-5-methylheptanoic acid (PubChem CID 11333384) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(acetamidomethyl)-5-methylheptanoic acid.

Molecular Properties

Compound Name3-(acetamidomethyl)-5-methylheptanoic acid
PubChem CID11333384
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(acetamidomethyl)-5-methylheptanoic acid
SMILESCCC(C)CC(CNC(C)=O)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-4-8(2)5-10(6-11(14)15)7-12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyWPRUOFPELZLOBA-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-((Isononoyl)amino)hexanoic acid
CID 166214
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
(S)-4-((S)-Hexadecanoylamino)-6-methyl-heptanoic acid
CID 10318655
3-(Aminomethyl)-5-ethylheptanoic acid
CID 11390456
2-(1-(Acetamidomethyl)cyclohexyl)acetic acid
CID 5248228
(3S)-3-(acetamidomethyl)-5-methylhexanoic acid
CID 57734488
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
(3S)-5-Methyl-3-((methylamino)methyl)hexanoic acid
CID 29984342
10-Oxo-10-(propylamino)decanoic acid
CID 454076
8BuNHCO caprylic acid
CID 454077
11-Acetamidoundecanoic acid
CID 454085
8-(Pentanoylamino)octanoic acid
CID 454086

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-5-methylheptanoic acid?
The IUPAC name of 3-(acetamidomethyl)-5-methylheptanoic acid (CID 11333384) is 3-(acetamidomethyl)-5-methylheptanoic acid.
What is the SMILES notation for 3-(acetamidomethyl)-5-methylheptanoic acid?
The canonical SMILES for 3-(acetamidomethyl)-5-methylheptanoic acid is CCC(C)CC(CNC(C)=O)CC(=O)O.
What is the InChIKey of 3-(acetamidomethyl)-5-methylheptanoic acid?
The InChIKey is WPRUOFPELZLOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-8(2)5-10(6-11(14)15)7-12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-(acetamidomethyl)-5-methylheptanoic acid?
3-(acetamidomethyl)-5-methylheptanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-5-methylheptanoic acid is sourced from PubChem (CID 11333384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).