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

C13H23NO5 — CID 82323403

IUPAC6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
SMILESCCCC(=O)N(CCCCCC(=O)O)CCC(=O)O
InChIInChI=1S/C13H23NO5/c1-2-6-11(15)14(10-8-13(18)19)9-5-3-4-7-12(16)17/h2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyCPEFQMDKJFWKSU-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.73
Rot. Bonds11

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

6-[butanoyl(2-carboxyethyl)amino]hexanoic acid (PubChem CID 82323403) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
PubChem CID82323403
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
SMILESCCCC(=O)N(CCCCCC(=O)O)CCC(=O)O
InChIInChI=1S/C13H23NO5/c1-2-6-11(15)14(10-8-13(18)19)9-5-3-4-7-12(16)17/h2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyCPEFQMDKJFWKSU-UHFFFAOYSA-N
XLogP1.73
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.73
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

N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(nonyl)octanamide
CID 533141
N,N-dioctyltetradecanamide
CID 169083302
3-[butanoyl-[2-(diethylamino)ethyl]amino]propanoic acid
CID 82323396
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531

Frequently Asked Questions

What is the IUPAC name of 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid?
The IUPAC name of 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid (CID 82323403) is 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid.
What is the SMILES notation for 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid?
The canonical SMILES for 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid is CCCC(=O)N(CCCCCC(=O)O)CCC(=O)O.
What is the InChIKey of 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid?
The InChIKey is CPEFQMDKJFWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-2-6-11(15)14(10-8-13(18)19)9-5-3-4-7-12(16)17/h2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid?
6-[butanoyl(2-carboxyethyl)amino]hexanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butanoyl(2-carboxyethyl)amino]hexanoic acid is sourced from PubChem (CID 82323403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).