6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid

C11H22N2O3 — CID 64677557

IUPAC6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
SMILESCC(C)(N)CC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,12)8-9(14)13-7-5-3-4-6-10(15)16/h3-8,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBKBDPXGWBQHYBD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.88
Rot. Bonds8

About 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid

6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid (PubChem CID 64677557) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
PubChem CID64677557
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
SMILESCC(C)(N)CC(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,12)8-9(14)13-7-5-3-4-6-10(15)16/h3-8,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBKBDPXGWBQHYBD-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.88
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

3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
3-amino-3-methyl-N-(7-methyloctyl)butanamide
CID 64677184
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
16-(butanoylamino)hexadecanoic acid
CID 118711043
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid (CID 64677557) is 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid is CC(C)(N)CC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid?
The InChIKey is BKBDPXGWBQHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,12)8-9(14)13-7-5-3-4-6-10(15)16/h3-8,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid?
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid is sourced from PubChem (CID 64677557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).