5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid

C23H46N4O6 — CID 174862072

IUPAC5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
SMILESCCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C17H32N2O4.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20;7-4-2-1-3-5(8)6(9)10/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23);5H,1-4,7-8H2,(H,9,10)
InChIKeyGYOXOGVIQBRRGU-UHFFFAOYSA-N
MW474.64 g/mol
LogP2.27
Rot. Bonds20

About 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid

5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid (PubChem CID 174862072) has the molecular formula C23H46N4O6 and a molecular weight of 474.64 g/mol. Its IUPAC name is 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid.

Molecular Properties

Compound Name5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
PubChem CID174862072
Molecular FormulaC23H46N4O6
Molecular Weight474.64 g/mol
Exact Mass474.34
IUPAC Name5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid
SMILESCCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C17H32N2O4.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20;7-4-2-1-3-5(8)6(9)10/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23);5H,1-4,7-8H2,(H,9,10)
InChIKeyGYOXOGVIQBRRGU-UHFFFAOYSA-N
XLogP2.27
TPSA198.83 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid with MolForge

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Related Compounds

bis(5-amino-2-(octadecanoylamino)-5-oxopentanoic acid);2,6-diaminohexanoic acid
CID 175572052
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
CID 175770301
CID 175770301
2,6-diaminohexanoic acid;dodecanamide
CID 87964138
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2S)-2-(decanoylamino)propanoic acid;2,6-diaminohexanoic acid
CID 87876051

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid?
The IUPAC name of 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid (CID 174862072) is 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid.
What is the SMILES notation for 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid?
The canonical SMILES for 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid is CCCCCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.NCCCCC(N)C(=O)O.
What is the InChIKey of 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid?
The InChIKey is GYOXOGVIQBRRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20;7-4-2-1-3-5(8)6(9)10/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23);5H,1-4,7-8H2,(H,9,10).
What are the key properties of 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid?
5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid has a molecular weight of 474.64 g/mol, XLogP of 2.27, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dodecanoylamino)-5-oxopentanoic acid;2,6-diaminohexanoic acid is sourced from PubChem (CID 174862072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).