6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid

C22H40N2O6 — CID 3328330

IUPAC6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCCCCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C22H40N2O6/c25-19(23-17-11-5-9-15-21(27)28)13-7-3-1-2-4-8-14-20(26)24-18-12-6-10-16-22(29)30/h1-18H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKeyPJGTWNSPQLXUFP-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.63
Rot. Bonds21

About 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid

6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid (PubChem CID 3328330) has the molecular formula C22H40N2O6 and a molecular weight of 428.57 g/mol. Its IUPAC name is 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid
PubChem CID3328330
Molecular FormulaC22H40N2O6
Molecular Weight428.57 g/mol
Exact Mass428.29
IUPAC Name6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCCCCCCCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C22H40N2O6/c25-19(23-17-11-5-9-15-21(27)28)13-7-3-1-2-4-8-14-20(26)24-18-12-6-10-16-22(29)30/h1-18H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKeyPJGTWNSPQLXUFP-UHFFFAOYSA-N
XLogP3.63
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Suberylglycine
CID 6453952
Lauroyl Lysine
CID 104151
Azelamide monoethanolamine
CID 57483082
N6-Capryloyl lysine
CID 90242
4-((1-Oxohexadecyl)amino)butanoic acid
CID 197197
Lauramidopropyl dimethylamine propionate
CID 105663
Zinc acexamate
CID 155354
13-n-Heptanamidotridec-5-ynoic acid
CID 44235174
2-Amino-6-(4-dodecanamidobutanamido)heptanedioic Acid
CID 51350165
Octadecanamide, N-(3-(dimethylamino)propyl)-, acetate (1:1)
CID 83300
4-((1-Oxooctadecyl)amino)butanoic acid
CID 162685
6-(6-Aminohexanamido)hexanoic acid
CID 895

Frequently Asked Questions

What is the IUPAC name of 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid (CID 3328330) is 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CCCCCCCCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid?
The InChIKey is PJGTWNSPQLXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O6/c25-19(23-17-11-5-9-15-21(27)28)13-7-3-1-2-4-8-14-20(26)24-18-12-6-10-16-22(29)30/h1-18H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30).
What are the key properties of 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid?
6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid has a molecular weight of 428.57 g/mol, XLogP of 3.63, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[10-(5-carboxypentylamino)-10-oxodecanoyl]amino]hexanoic acid is sourced from PubChem (CID 3328330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).