2-amino-6-[butanoyl(methyl)amino]hexanoic acid

C11H22N2O3 — CID 167006066

IUPAC2-amino-6-[butanoyl(methyl)amino]hexanoic acid
SMILESCCCC(=O)N(C)CCCCC(N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-6-10(14)13(2)8-5-4-7-9(12)11(15)16/h9H,3-8,12H2,1-2H3,(H,15,16)
InChIKeyGWRFLDAARRDXEQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds8

About 2-amino-6-[butanoyl(methyl)amino]hexanoic acid

2-amino-6-[butanoyl(methyl)amino]hexanoic acid (PubChem CID 167006066) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-6-[butanoyl(methyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[butanoyl(methyl)amino]hexanoic acid
PubChem CID167006066
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-6-[butanoyl(methyl)amino]hexanoic acid
SMILESCCCC(=O)N(C)CCCCC(N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-6-10(14)13(2)8-5-4-7-9(12)11(15)16/h9H,3-8,12H2,1-2H3,(H,15,16)
InChIKeyGWRFLDAARRDXEQ-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
(2S)-2-amino-6-(diethylamino)hexanoic acid
CID 53320301
(2S)-2-aminododecanoic acid
CID 10560640
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
(2S)-2-amino-5-[hydroxy(pentyl)amino]pentanoic acid
CID 87566861
2-aminohexadecanoic acid;azane
CID 175267671
(2S)-2-amino-5-[[(E)-N'-hydroxycarbamimidoyl]-methylamino]pentanoic acid;dihydrochloride
CID 24787823
(2S)-2-amino-5-[decyl(hydroxy)amino]-5-oxopentanoic acid
CID 122661967
(2S)-2-amino-6-[di(dodecanoyl)amino]hexanoic acid;octadecan-1-amine
CID 87345820

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[butanoyl(methyl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[butanoyl(methyl)amino]hexanoic acid (CID 167006066) is 2-amino-6-[butanoyl(methyl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[butanoyl(methyl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[butanoyl(methyl)amino]hexanoic acid is CCCC(=O)N(C)CCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-[butanoyl(methyl)amino]hexanoic acid?
The InChIKey is GWRFLDAARRDXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-6-10(14)13(2)8-5-4-7-9(12)11(15)16/h9H,3-8,12H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-6-[butanoyl(methyl)amino]hexanoic acid?
2-amino-6-[butanoyl(methyl)amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[butanoyl(methyl)amino]hexanoic acid is sourced from PubChem (CID 167006066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).