2-(3-aminopropyl)-6-phenylhexanoic acid

C15H23NO2 — CID 114335136

IUPAC2-(3-aminopropyl)-6-phenylhexanoic acid
SMILESNCCCC(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c16-12-6-11-14(15(17)18)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12,16H2,(H,17,18)
InChIKeyPOLWUQVGEOUTLB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds9

About 2-(3-aminopropyl)-6-phenylhexanoic acid

2-(3-aminopropyl)-6-phenylhexanoic acid (PubChem CID 114335136) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-phenylhexanoic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-phenylhexanoic acid
PubChem CID114335136
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-aminopropyl)-6-phenylhexanoic acid
SMILESNCCCC(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c16-12-6-11-14(15(17)18)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12,16H2,(H,17,18)
InChIKeyPOLWUQVGEOUTLB-UHFFFAOYSA-N
XLogP2.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
2-(8-phenyloctyl)propanedioic acid
CID 20544236
7-phenylheptane-1,4-diamine
CID 174860311
2-amino-7-phenylheptanoic acid
CID 85132413
2-(3-aminopropyl)-5-phenoxypentanoic acid
CID 104681090
(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
CID 67881897
5-phenyl-2-(phosphorosomethyl)pentanoic acid
CID 172849260
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
2-(benzylsulfanylmethyl)-5-phenylpentanoic acid
CID 18533017

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-phenylhexanoic acid?
The IUPAC name of 2-(3-aminopropyl)-6-phenylhexanoic acid (CID 114335136) is 2-(3-aminopropyl)-6-phenylhexanoic acid.
What is the SMILES notation for 2-(3-aminopropyl)-6-phenylhexanoic acid?
The canonical SMILES for 2-(3-aminopropyl)-6-phenylhexanoic acid is NCCCC(CCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(3-aminopropyl)-6-phenylhexanoic acid?
The InChIKey is POLWUQVGEOUTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-12-6-11-14(15(17)18)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-6,9-12,16H2,(H,17,18).
What are the key properties of 2-(3-aminopropyl)-6-phenylhexanoic acid?
2-(3-aminopropyl)-6-phenylhexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-phenylhexanoic acid is sourced from PubChem (CID 114335136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).