6-(6-aminohexylamino)-6-oxohexanoic acid

C12H24N2O3 — CID 59866394

IUPAC6-(6-aminohexylamino)-6-oxohexanoic acid
SMILESNCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c13-9-5-1-2-6-10-14-11(15)7-3-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeyJEZCDUHGYZKMCY-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.27
Rot. Bonds11

About 6-(6-aminohexylamino)-6-oxohexanoic acid

6-(6-aminohexylamino)-6-oxohexanoic acid (PubChem CID 59866394) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-(6-aminohexylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(6-aminohexylamino)-6-oxohexanoic acid
PubChem CID59866394
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-(6-aminohexylamino)-6-oxohexanoic acid
SMILESNCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c13-9-5-1-2-6-10-14-11(15)7-3-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeyJEZCDUHGYZKMCY-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

epsilon-Acetyl-L-lysine
CID 92832
6-Acetylaminocaproic acid
CID 2005
N-Acetyl-L-Lysine
CID 92907
Acetyllysine
CID 6991978
Dilysine
CID 128837
Hexanoic acid, 6,6'-(carbonyldiimino)bis-
CID 246663
Ala-Lys
CID 7016106
(2S)-2-amino-6-((2,2,2-trifluoroacetyl)amino)hexanoic acid
CID 7009573
N6-Capryloyl lysine
CID 90242
Zinc acexamate
CID 155354
6-(6-Azaniumylhexanamido)hexanoate
CID 5245705
Glycyl-L-lysine
CID 3080576

Frequently Asked Questions

What is the IUPAC name of 6-(6-aminohexylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(6-aminohexylamino)-6-oxohexanoic acid (CID 59866394) is 6-(6-aminohexylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(6-aminohexylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(6-aminohexylamino)-6-oxohexanoic acid is NCCCCCCNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(6-aminohexylamino)-6-oxohexanoic acid?
The InChIKey is JEZCDUHGYZKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-9-5-1-2-6-10-14-11(15)7-3-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17).
What are the key properties of 6-(6-aminohexylamino)-6-oxohexanoic acid?
6-(6-aminohexylamino)-6-oxohexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminohexylamino)-6-oxohexanoic acid is sourced from PubChem (CID 59866394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).