4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

C34H66N4O5 — CID 59935089

IUPAC4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCNC(=O)CCC(NC(=O)C(N)CCC(=O)O)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C34H66N4O5/c1-3-5-7-9-11-13-15-17-19-21-27-36-31(39)25-24-30(38-33(42)29(35)23-26-32(40)41)34(43)37-28-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28,35H2,1-2H3,(H,36,39)(H,37,43)(H,38,42)(H,40,41)
InChIKeyQZEAZHKPYYGJTB-UHFFFAOYSA-N
MW610.93 g/mol
LogP6.52
Rot. Bonds31

About 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 59935089) has the molecular formula C34H66N4O5 and a molecular weight of 610.93 g/mol. Its IUPAC name is 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
PubChem CID59935089
Molecular FormulaC34H66N4O5
Molecular Weight610.93 g/mol
Exact Mass610.50
IUPAC Name4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCCCNC(=O)CCC(NC(=O)C(N)CCC(=O)O)C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C34H66N4O5/c1-3-5-7-9-11-13-15-17-19-21-27-36-31(39)25-24-30(38-33(42)29(35)23-26-32(40)41)34(43)37-28-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28,35H2,1-2H3,(H,36,39)(H,37,43)(H,38,42)(H,40,41)
InChIKeyQZEAZHKPYYGJTB-UHFFFAOYSA-N
XLogP6.52
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.93
LogP ≤ 56.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-amino-2-(propan-2-ylamino)pentanoyl]amino]-5-[6-(dodecanoylamino)hexylamino]-5-oxopentanoic acid
CID 166081976
5-[6-(dodecanoylamino)hexylamino]-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 174243666
5-[[4-carboxy-1-[6-(dodecanoylamino)hexylamino]-1-oxobutan-2-yl]amino]-5-oxo-4-(propylamino)pentanoic acid
CID 166081969
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
tert-butyl 4-amino-5-[[1-[6-(dodecanoylamino)hexylamino]-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoate
CID 166081975
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
5-[[(2S)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 10698964
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
4-hydrazinyl-5-(octadecylamino)-5-oxopentanoic acid
CID 89316216
5-[[(2R)-1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-3-ethyl-3-methyl-5-oxopentanoic acid
CID 10579953
4-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-5-[6-(dodecanoylamino)hexylamino]-5-oxopentanoic acid;ethane
CID 166081986

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid (CID 59935089) is 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid is CCCCCCCCCCCCNC(=O)CCC(NC(=O)C(N)CCC(=O)O)C(=O)NCCCCCCCCCCCC.
What is the InChIKey of 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is QZEAZHKPYYGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N4O5/c1-3-5-7-9-11-13-15-17-19-21-27-36-31(39)25-24-30(38-33(42)29(35)23-26-32(40)41)34(43)37-28-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28,35H2,1-2H3,(H,36,39)(H,37,43)(H,38,42)(H,40,41).
What are the key properties of 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid?
4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 610.93 g/mol, XLogP of 6.52, 31 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[1,5-bis(dodecylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 59935089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).