4,5-dimethyl-3-(propanoylamino)nonanoic acid

C14H27NO3 — CID 11379869

IUPAC4,5-dimethyl-3-(propanoylamino)nonanoic acid
SMILESCCCCC(C)C(C)C(CC(=O)O)NC(=O)CC
InChIInChI=1S/C14H27NO3/c1-5-7-8-10(3)11(4)12(9-14(17)18)15-13(16)6-2/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFZVBINZETOVIOA-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.82
Rot. Bonds9

About 4,5-dimethyl-3-(propanoylamino)nonanoic acid

4,5-dimethyl-3-(propanoylamino)nonanoic acid (PubChem CID 11379869) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4,5-dimethyl-3-(propanoylamino)nonanoic acid.

Molecular Properties

Compound Name4,5-dimethyl-3-(propanoylamino)nonanoic acid
PubChem CID11379869
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4,5-dimethyl-3-(propanoylamino)nonanoic acid
SMILESCCCCC(C)C(C)C(CC(=O)O)NC(=O)CC
InChIInChI=1S/C14H27NO3/c1-5-7-8-10(3)11(4)12(9-14(17)18)15-13(16)6-2/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFZVBINZETOVIOA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
3-(acetamidomethyl)-4,5-dimethylnonanoic acid
CID 11230636
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
4-hydroxy-3-methyloctanoic acid
CID 19371970
3-hydroxy-4-methylnonanoic acid
CID 118395332
N-dodecan-2-ylpropanamide
CID 174988669
N-(2-hydroxyhexan-3-yl)propanamide
CID 163591274
4-methyl-3-tridecyloctadecanoic acid
CID 57002695
(3R,4R,5R)-3-[[(2S)-2-aminopropanoyl]amino]-4,5-dimethylheptanoic acid
CID 87609587
3-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-4,5-dimethylnonanoic acid
CID 87609243
N-[(3S)-5-ethyl-2-methylnonan-3-yl]-3-methylbutanamide
CID 145273522
(3S,4S)-3,4,8-trimethylhexadecanoic acid
CID 118342315

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(propanoylamino)nonanoic acid?
The IUPAC name of 4,5-dimethyl-3-(propanoylamino)nonanoic acid (CID 11379869) is 4,5-dimethyl-3-(propanoylamino)nonanoic acid.
What is the SMILES notation for 4,5-dimethyl-3-(propanoylamino)nonanoic acid?
The canonical SMILES for 4,5-dimethyl-3-(propanoylamino)nonanoic acid is CCCCC(C)C(C)C(CC(=O)O)NC(=O)CC.
What is the InChIKey of 4,5-dimethyl-3-(propanoylamino)nonanoic acid?
The InChIKey is FZVBINZETOVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-8-10(3)11(4)12(9-14(17)18)15-13(16)6-2/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4,5-dimethyl-3-(propanoylamino)nonanoic acid?
4,5-dimethyl-3-(propanoylamino)nonanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(propanoylamino)nonanoic acid is sourced from PubChem (CID 11379869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).