[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium

C26H55N5O3+2 — CID 140787331

IUPAC[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCCCCCCCC(=O)N(CCCNC(=O)[C@H]([NH3+])CC(C)C)CCCNC(=O)[C@H]([NH3+])CC(C)C
InChIInChI=1S/C26H53N5O3/c1-6-7-8-9-10-13-24(32)31(16-11-14-29-25(33)22(27)18-20(2)3)17-12-15-30-26(34)23(28)19-21(4)5/h20-23H,6-19,27-28H2,1-5H3,(H,29,33)(H,30,34)/p+2/t22-,23-/m1/s1
InChIKeyPZVVKYBSMKYGBQ-DHIUTWEWSA-P
MW485.76 g/mol
LogP1.50
Rot. Bonds20

About [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium

[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium (PubChem CID 140787331) has the molecular formula C26H55N5O3+2 and a molecular weight of 485.76 g/mol. Its IUPAC name is [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium
PubChem CID140787331
Molecular FormulaC26H55N5O3+2
Molecular Weight485.76 g/mol
Exact Mass485.43
IUPAC Name[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCCCCCCCC(=O)N(CCCNC(=O)[C@H]([NH3+])CC(C)C)CCCNC(=O)[C@H]([NH3+])CC(C)C
InChIInChI=1S/C26H53N5O3/c1-6-7-8-9-10-13-24(32)31(16-11-14-29-25(33)22(27)18-20(2)3)17-12-15-30-26(34)23(28)19-21(4)5/h20-23H,6-19,27-28H2,1-5H3,(H,29,33)(H,30,34)/p+2/t22-,23-/m1/s1
InChIKeyPZVVKYBSMKYGBQ-DHIUTWEWSA-P
XLogP1.50
TPSA133.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.76
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium with MolForge

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Related Compounds

[(2S)-1-[3-[3-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]propyl-dodecanoylamino]propylamino]-3-methyl-1-oxobutan-2-yl]azanium
CID 140787333
[(2S)-6-azaniumyl-1-[3-[3-[[(2S)-2,6-bis(azaniumyl)hexanoyl]amino]propyl-octadecanoylamino]propylamino]-1-oxohexan-2-yl]azanium
CID 140787319
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
CID 129151974
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
N,N-bis[3-[[(2S)-2,6-diaminohexanoyl]amino]propyl]octanamide
CID 129148802
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N-butyl-N-octyldecanamide
CID 18913402
(2S,5R)-5-amino-N-[3-[3-[[(2S,5R)-5-amino-2-benzyl-7-methyl-4-oxooctanoyl]amino]propyl-octanoylamino]propyl]-2-benzyl-7-methyl-4-oxooctanamide
CID 159888266

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium (CID 140787331) is [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium is CCCCCCCC(=O)N(CCCNC(=O)[C@H]([NH3+])CC(C)C)CCCNC(=O)[C@H]([NH3+])CC(C)C.
What is the InChIKey of [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is PZVVKYBSMKYGBQ-DHIUTWEWSA-P. The full InChI is InChI=1S/C26H53N5O3/c1-6-7-8-9-10-13-24(32)31(16-11-14-29-25(33)22(27)18-20(2)3)17-12-15-30-26(34)23(28)19-21(4)5/h20-23H,6-19,27-28H2,1-5H3,(H,29,33)(H,30,34)/p+2/t22-,23-/m1/s1.
What are the key properties of [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium?
[(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 485.76 g/mol, XLogP of 1.50, 20 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-[3-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]propyl-octanoylamino]propylamino]-4-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 140787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).