3-[pentyl(propyl)amino]propanoic acid

C11H23NO2 — CID 82328254

IUPAC3-[pentyl(propyl)amino]propanoic acid
SMILESCCCCCN(CCC)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-3-5-6-9-12(8-4-2)10-7-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyDSBPRSJLVKJQCW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds9

About 3-[pentyl(propyl)amino]propanoic acid

3-[pentyl(propyl)amino]propanoic acid (PubChem CID 82328254) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[pentyl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[pentyl(propyl)amino]propanoic acid
PubChem CID82328254
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[pentyl(propyl)amino]propanoic acid
SMILESCCCCCN(CCC)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-3-5-6-9-12(8-4-2)10-7-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKeyDSBPRSJLVKJQCW-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
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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Related Compounds

3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158

Frequently Asked Questions

What is the IUPAC name of 3-[pentyl(propyl)amino]propanoic acid?
The IUPAC name of 3-[pentyl(propyl)amino]propanoic acid (CID 82328254) is 3-[pentyl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[pentyl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[pentyl(propyl)amino]propanoic acid is CCCCCN(CCC)CCC(=O)O.
What is the InChIKey of 3-[pentyl(propyl)amino]propanoic acid?
The InChIKey is DSBPRSJLVKJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-9-12(8-4-2)10-7-11(13)14/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 3-[pentyl(propyl)amino]propanoic acid?
3-[pentyl(propyl)amino]propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pentyl(propyl)amino]propanoic acid is sourced from PubChem (CID 82328254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).