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

3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753
5-methyl-3-[(2-methylbutanoylamino)methyl]hexanoic acid
CID 65495173
(3S,5R)-3-(aminomethyl)-5-methylheptanoic acid;ethyl acetate
CID 160547698
3-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-5-methyloctanoic acid
CID 87609667
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
5-methyl-3-[(prop-2-enoylamino)methyl]hexanoic acid
CID 65494145
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methyloctanoic acid
CID 87608644
(3R)-3-[[[(2R,3S)-2-amino-3-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 124678536
3-[(2-methylprop-2-enylcarbamoylamino)methyl]pentanoic acid
CID 114618121
3-[(2-arsanylacetyl)amino]-5-methylheptanoic acid
CID 173182030

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).