2-(2-acetamidopropanoylamino)hexanoic acid

C11H20N2O4 — CID 43469646

IUPAC2-(2-acetamidopropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)C(C)NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-5-6-9(11(16)17)13-10(15)7(2)12-8(3)14/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyZZIINDJIJGPRJP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds7

About 2-(2-acetamidopropanoylamino)hexanoic acid

2-(2-acetamidopropanoylamino)hexanoic acid (PubChem CID 43469646) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-acetamidopropanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-acetamidopropanoylamino)hexanoic acid
PubChem CID43469646
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-(2-acetamidopropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)C(C)NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-4-5-6-9(11(16)17)13-10(15)7(2)12-8(3)14/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyZZIINDJIJGPRJP-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
(2S)-6-acetamido-2-[[(2S)-2-acetamidopropanoyl]amino]hexanoic acid
CID 121225479
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 87526152
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
2-acetamidotetracosanoic acid
CID 13224380
(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107145683
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidopropanoylamino)hexanoic acid?
The IUPAC name of 2-(2-acetamidopropanoylamino)hexanoic acid (CID 43469646) is 2-(2-acetamidopropanoylamino)hexanoic acid.
What is the SMILES notation for 2-(2-acetamidopropanoylamino)hexanoic acid?
The canonical SMILES for 2-(2-acetamidopropanoylamino)hexanoic acid is CCCCC(NC(=O)C(C)NC(C)=O)C(=O)O.
What is the InChIKey of 2-(2-acetamidopropanoylamino)hexanoic acid?
The InChIKey is ZZIINDJIJGPRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-5-6-9(11(16)17)13-10(15)7(2)12-8(3)14/h7,9H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-(2-acetamidopropanoylamino)hexanoic acid?
2-(2-acetamidopropanoylamino)hexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidopropanoylamino)hexanoic acid is sourced from PubChem (CID 43469646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).