3-(acetamidomethyl)-4,5-dimethylnonanoic acid

C14H27NO3 — CID 11230636

IUPAC3-(acetamidomethyl)-4,5-dimethylnonanoic acid
SMILESCCCCC(C)C(C)C(CNC(C)=O)CC(=O)O
InChIInChI=1S/C14H27NO3/c1-5-6-7-10(2)11(3)13(8-14(17)18)9-15-12(4)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNLNANJSGRWKETR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.68
Rot. Bonds9

About 3-(acetamidomethyl)-4,5-dimethylnonanoic acid

3-(acetamidomethyl)-4,5-dimethylnonanoic acid (PubChem CID 11230636) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-(acetamidomethyl)-4,5-dimethylnonanoic acid.

Molecular Properties

Compound Name3-(acetamidomethyl)-4,5-dimethylnonanoic acid
PubChem CID11230636
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-(acetamidomethyl)-4,5-dimethylnonanoic acid
SMILESCCCCC(C)C(C)C(CNC(C)=O)CC(=O)O
InChIInChI=1S/C14H27NO3/c1-5-6-7-10(2)11(3)13(8-14(17)18)9-15-12(4)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNLNANJSGRWKETR-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-4,5-dimethylnonanoic acid
CID 87609243
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-4,5-dimethyloctanoic acid
CID 87609462
(3R,4R,5R)-3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-4,5-dimethyloctanoic acid
CID 87609290
4,5-dimethyl-3-(propanoylamino)nonanoic acid
CID 11379869
4-methyl-3-tridecyloctadecanoic acid
CID 57002695
fluoromethane;N-[(2R)-2-methylhexyl]acetamide
CID 145149419
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
(3R,4R,5R)-3-[[[(1R)-1-acetyloxyethoxy]carbonylamino]methyl]-4,5-dimethylheptanoic acid
CID 53234512
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
(3R,4R,5R)-3-[[[(1R)-1-acetyloxy-2-methylpropoxy]carbonylamino]methyl]-4,5-dimethylheptanoic acid
CID 53234592
3,4-dibutyloctadecanoic acid
CID 91161686
4-hydroxy-3-methyloctanoic acid
CID 19371970

Frequently Asked Questions

What is the IUPAC name of 3-(acetamidomethyl)-4,5-dimethylnonanoic acid?
The IUPAC name of 3-(acetamidomethyl)-4,5-dimethylnonanoic acid (CID 11230636) is 3-(acetamidomethyl)-4,5-dimethylnonanoic acid.
What is the SMILES notation for 3-(acetamidomethyl)-4,5-dimethylnonanoic acid?
The canonical SMILES for 3-(acetamidomethyl)-4,5-dimethylnonanoic acid is CCCCC(C)C(C)C(CNC(C)=O)CC(=O)O.
What is the InChIKey of 3-(acetamidomethyl)-4,5-dimethylnonanoic acid?
The InChIKey is NLNANJSGRWKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-7-10(2)11(3)13(8-14(17)18)9-15-12(4)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(acetamidomethyl)-4,5-dimethylnonanoic acid?
3-(acetamidomethyl)-4,5-dimethylnonanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetamidomethyl)-4,5-dimethylnonanoic acid is sourced from PubChem (CID 11230636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).