3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid

C16H32N2O3 — CID 82323531

IUPAC3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
SMILESCCCCC(=O)N(CCCCN(CC)CC)CCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-7-10-15(19)18(14-11-16(20)21)13-9-8-12-17(5-2)6-3/h4-14H2,1-3H3,(H,20,21)
InChIKeyGLMZJMUNFATFLB-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.60
Rot. Bonds13

About 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid

3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid (PubChem CID 82323531) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
PubChem CID82323531
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
SMILESCCCCC(=O)N(CCCCN(CC)CC)CCC(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-7-10-15(19)18(14-11-16(20)21)13-9-8-12-17(5-2)6-3/h4-14H2,1-3H3,(H,20,21)
InChIKeyGLMZJMUNFATFLB-UHFFFAOYSA-N
XLogP2.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[butanoyl-[2-(diethylamino)ethyl]amino]propanoic acid
CID 82323396
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
N,N-di(undecyl)pentanamide
CID 532896
6-[butanoyl(2-carboxyethyl)amino]hexanoic acid
CID 82323403
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-butyl-N-ethylpentanamide
CID 4629847

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid?
The IUPAC name of 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid (CID 82323531) is 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid.
What is the SMILES notation for 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid?
The canonical SMILES for 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid is CCCCC(=O)N(CCCCN(CC)CC)CCC(=O)O.
What is the InChIKey of 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid?
The InChIKey is GLMZJMUNFATFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-7-10-15(19)18(14-11-16(20)21)13-9-8-12-17(5-2)6-3/h4-14H2,1-3H3,(H,20,21).
What are the key properties of 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid?
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid has a molecular weight of 300.44 g/mol, XLogP of 2.60, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid is sourced from PubChem (CID 82323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).