5-(dimethylamino)pentanoic acid

C7H15NO2 — CID 14017020

IUPAC5-(dimethylamino)pentanoic acid
SMILESCN(C)CCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-8(2)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyUYZSNVLEDLCWGU-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds5

About 5-(dimethylamino)pentanoic acid

5-(dimethylamino)pentanoic acid (PubChem CID 14017020) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-(dimethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(dimethylamino)pentanoic acid
PubChem CID14017020
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name5-(dimethylamino)pentanoic acid
SMILESCN(C)CCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-8(2)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyUYZSNVLEDLCWGU-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pentanoic acid?
The IUPAC name of 5-(dimethylamino)pentanoic acid (CID 14017020) is 5-(dimethylamino)pentanoic acid.
What is the SMILES notation for 5-(dimethylamino)pentanoic acid?
The canonical SMILES for 5-(dimethylamino)pentanoic acid is CN(C)CCCCC(=O)O.
What is the InChIKey of 5-(dimethylamino)pentanoic acid?
The InChIKey is UYZSNVLEDLCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8(2)6-4-3-5-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 5-(dimethylamino)pentanoic acid?
5-(dimethylamino)pentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pentanoic acid is sourced from PubChem (CID 14017020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).