3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid

C15H30N2O2 — CID 82329905

IUPAC3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCCCCCCN(CCC(=O)O)CCN1CCCC1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-9-17(12-8-15(18)19)14-13-16-10-6-7-11-16/h2-14H2,1H3,(H,18,19)
InChIKeyMEFLVEUERNKINY-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.44
Rot. Bonds11

About 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid

3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 82329905) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID82329905
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESCCCCCCN(CCC(=O)O)CCN1CCCC1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-9-17(12-8-15(18)19)14-13-16-10-6-7-11-16/h2-14H2,1H3,(H,18,19)
InChIKeyMEFLVEUERNKINY-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.44
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

N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane
CID 159896552
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-[3-ethoxypropyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329925
3-[3-ethoxypropyl(2-piperidin-1-ylethyl)amino]propanoic acid
CID 82330337
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
(E)-N-decyl-N-(2-pyrrolidin-1-ylethyl)hexadec-9-en-1-amine
CID 71498446
(Z)-N-decyl-N-(2-pyrrolidin-1-ylethyl)hexadec-9-en-1-amine
CID 71241105
4-dodecoxybutyl 3-[[3-(4-dodecoxybutoxy)-3-oxopropyl]-(2-pyrrolidin-1-ylethyl)amino]propanoate;ethane
CID 169182854
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935

Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 82329905) is 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is CCCCCCN(CCC(=O)O)CCN1CCCC1.
What is the InChIKey of 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is MEFLVEUERNKINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-5-9-17(12-8-15(18)19)14-13-16-10-6-7-11-16/h2-14H2,1H3,(H,18,19).
What are the key properties of 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82329905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).