6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid

C33H65N5O5 — CID 24967835

IUPAC6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C33H65N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30(39)37-28(21-15-18-25-34)32(41)36-27-20-17-24-31(40)38-29(33(42)43)22-16-19-26-35/h28-29H,2-27,34-35H2,1H3,(H,36,41)(H,37,39)(H,38,40)(H,42,43)
InChIKeyGUQNSGCTRDICFU-UHFFFAOYSA-N
MW611.91 g/mol
LogP5.07
Rot. Bonds31

About 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid

6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid (PubChem CID 24967835) has the molecular formula C33H65N5O5 and a molecular weight of 611.91 g/mol. Its IUPAC name is 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
PubChem CID24967835
Molecular FormulaC33H65N5O5
Molecular Weight611.91 g/mol
Exact Mass611.50
IUPAC Name6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCC(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C33H65N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30(39)37-28(21-15-18-25-34)32(41)36-27-20-17-24-31(40)38-29(33(42)43)22-16-19-26-35/h28-29H,2-27,34-35H2,1H3,(H,36,41)(H,37,39)(H,38,40)(H,42,43)
InChIKeyGUQNSGCTRDICFU-UHFFFAOYSA-N
XLogP5.07
TPSA176.64 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500611.91
LogP ≤ 55.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
N-[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 53325952
N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
N-[6-amino-1-[[6-amino-1-[[8-[[6-amino-1-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591923
N-[6-amino-1-[[6-amino-1-[[10-[[6-amino-1-[[6-amino-1-[[10-[(1,6-diamino-1-oxohexan-2-yl)amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591895
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid (CID 24967835) is 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid is CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCC(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid?
The InChIKey is GUQNSGCTRDICFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-30(39)37-28(21-15-18-25-34)32(41)36-27-20-17-24-31(40)38-29(33(42)43)22-16-19-26-35/h28-29H,2-27,34-35H2,1H3,(H,36,41)(H,37,39)(H,38,40)(H,42,43).
What are the key properties of 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid?
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid has a molecular weight of 611.91 g/mol, XLogP of 5.07, 31 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid is sourced from PubChem (CID 24967835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).