3-acetamido-5,5-dimethylhexanoic acid

C10H19NO3 — CID 10442807

IUPAC3-acetamido-5,5-dimethylhexanoic acid
SMILESCC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)11-8(5-9(13)14)6-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyYEFQYWGDXLVVDL-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds4

About 3-acetamido-5,5-dimethylhexanoic acid

3-acetamido-5,5-dimethylhexanoic acid (PubChem CID 10442807) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-acetamido-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-acetamido-5,5-dimethylhexanoic acid
PubChem CID10442807
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-acetamido-5,5-dimethylhexanoic acid
SMILESCC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(12)11-8(5-9(13)14)6-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyYEFQYWGDXLVVDL-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic acid
CID 10385302
6-Acetamido-3-aminohexanoic acid
CID 440139
(R)-3-((S)-Decanoylamino)-5-methyl-hexanoic acid
CID 10380017
(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
CID 23630523
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
CID 23630821
3-Amino-5,5-dimethylhexanoic acid
CID 10397086
(S)-3-Amino-5,5-dimethylhexanoic acid
CID 11819317
(3R)-3-amino-5,5-dimethylhexanoic acid
CID 44339646
N'-acetyl-beta-lysine
CID 131434
2-(4,4-Dimethyl-5-oxopyrrolidin-2-yl)acetic acid
CID 165672318
(3S)-5-methyl-3-(methylamino)hexanoic acid hydrochloride
CID 167731681
(3R)-5-methyl-3-(methylamino)hexanoic acid hydrochloride
CID 167736504

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5,5-dimethylhexanoic acid?
The IUPAC name of 3-acetamido-5,5-dimethylhexanoic acid (CID 10442807) is 3-acetamido-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-acetamido-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-acetamido-5,5-dimethylhexanoic acid is CC(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-acetamido-5,5-dimethylhexanoic acid?
The InChIKey is YEFQYWGDXLVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(12)11-8(5-9(13)14)6-10(2,3)4/h8H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-acetamido-5,5-dimethylhexanoic acid?
3-acetamido-5,5-dimethylhexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5,5-dimethylhexanoic acid is sourced from PubChem (CID 10442807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).