2-(6-acetamidohexanoylamino)hexanoic acid

C14H26N2O4 — CID 43469673

IUPAC2-(6-acetamidohexanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCCCCNC(C)=O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-8-12(14(19)20)16-13(18)9-6-5-7-10-15-11(2)17/h12H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCXCUPNPYRLYAPL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds11

About 2-(6-acetamidohexanoylamino)hexanoic acid

2-(6-acetamidohexanoylamino)hexanoic acid (PubChem CID 43469673) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(6-acetamidohexanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(6-acetamidohexanoylamino)hexanoic acid
PubChem CID43469673
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-(6-acetamidohexanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCCCCNC(C)=O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-4-8-12(14(19)20)16-13(18)9-6-5-7-10-15-11(2)17/h12H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCXCUPNPYRLYAPL-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-acetamidohexanoylamino)pentanedioic acid
CID 60830462
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-5-(carbamoylamino)-2-(tricosanoylamino)pentanoic acid
CID 171116714
(2S)-5-(carbamoylamino)-2-(octanoylamino)pentanoic acid
CID 22865601
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
2-acetamido-5-[[5-(1-carboxybutylamino)-5-oxopentyl]amino]-5-oxopentanoic acid
CID 123241911
22-[[1-carboxy-4-(heptylamino)-4-oxobutyl]amino]-22-oxodocosanoic acid
CID 178049732
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
CID 24967835
(2S)-2-[[2-[[(1S)-1-carboxy-5-(dodecanoylamino)pentyl]amino]-2-oxoacetyl]amino]-6-(dodecanoylamino)hexanoic acid
CID 101258757
2-acetamido-5-[[4-[[4-[[4-(butylamino)-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123522191
18-[[1-carboxy-4-[[4-[[1-carboxy-4-oxo-4-[[4-oxo-4-(pentylamino)butyl]amino]butyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123821291

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidohexanoylamino)hexanoic acid?
The IUPAC name of 2-(6-acetamidohexanoylamino)hexanoic acid (CID 43469673) is 2-(6-acetamidohexanoylamino)hexanoic acid.
What is the SMILES notation for 2-(6-acetamidohexanoylamino)hexanoic acid?
The canonical SMILES for 2-(6-acetamidohexanoylamino)hexanoic acid is CCCCC(NC(=O)CCCCCNC(C)=O)C(=O)O.
What is the InChIKey of 2-(6-acetamidohexanoylamino)hexanoic acid?
The InChIKey is CXCUPNPYRLYAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-8-12(14(19)20)16-13(18)9-6-5-7-10-15-11(2)17/h12H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-(6-acetamidohexanoylamino)hexanoic acid?
2-(6-acetamidohexanoylamino)hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.44, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidohexanoylamino)hexanoic acid is sourced from PubChem (CID 43469673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).