azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid

C18H38N4O6 — CID 170853910

IUPACazane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
SMILESN.N.O=C(O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C18H32N2O6.2H3N/c21-15(9-3-5-11-17(23)24)19-13-7-1-2-8-14-20-16(22)10-4-6-12-18(25)26;;/h1-14H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3
InChIKeyGAQUHYKNDAAIPA-UHFFFAOYSA-N
MW406.52 g/mol
LogP2.39
Rot. Bonds17

About azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid

azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid (PubChem CID 170853910) has the molecular formula C18H38N4O6 and a molecular weight of 406.52 g/mol. Its IUPAC name is azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Nameazane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
PubChem CID170853910
Molecular FormulaC18H38N4O6
Molecular Weight406.52 g/mol
Exact Mass406.28
IUPAC Nameazane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
SMILESN.N.O=C(O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C18H32N2O6.2H3N/c21-15(9-3-5-11-17(23)24)19-13-7-1-2-8-14-20-16(22)10-4-6-12-18(25)26;;/h1-14H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3
InChIKeyGAQUHYKNDAAIPA-UHFFFAOYSA-N
XLogP2.39
TPSA202.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 52.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
11-(dodecanoylamino)undecanoic acid
CID 4163254
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
16-(butanoylamino)hexadecanoic acid
CID 118711043
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456

Frequently Asked Questions

What is the IUPAC name of azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid?
The IUPAC name of azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid (CID 170853910) is azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid.
What is the SMILES notation for azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid?
The canonical SMILES for azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid is N.N.O=C(O)CCCCC(=O)NCCCCCCNC(=O)CCCCC(=O)O.
What is the InChIKey of azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid?
The InChIKey is GAQUHYKNDAAIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O6.2H3N/c21-15(9-3-5-11-17(23)24)19-13-7-1-2-8-14-20-16(22)10-4-6-12-18(25)26;;/h1-14H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3.
What are the key properties of azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid?
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid has a molecular weight of 406.52 g/mol, XLogP of 2.39, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid is sourced from PubChem (CID 170853910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).