3-(6-phenylhexylamino)propanoic acid

C15H23NO2 — CID 19811158

IUPAC3-(6-phenylhexylamino)propanoic acid
SMILESO=C(O)CCNCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c17-15(18)11-13-16-12-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,16H,1-2,4,7-8,11-13H2,(H,17,18)
InChIKeyHMCHEYMSHNPZAE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds10

About 3-(6-phenylhexylamino)propanoic acid

3-(6-phenylhexylamino)propanoic acid (PubChem CID 19811158) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(6-phenylhexylamino)propanoic acid.

Molecular Properties

Compound Name3-(6-phenylhexylamino)propanoic acid
PubChem CID19811158
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(6-phenylhexylamino)propanoic acid
SMILESO=C(O)CCNCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c17-15(18)11-13-16-12-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,16H,1-2,4,7-8,11-13H2,(H,17,18)
InChIKeyHMCHEYMSHNPZAE-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
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

3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
15-phenylpentadecanoic acid
CID 2737151
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
8-phenyloctylcarbamic acid
CID 90271205
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
5-phenyl-N-propylpentan-1-amine
CID 62530615
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylhexylamino)propanoic acid?
The IUPAC name of 3-(6-phenylhexylamino)propanoic acid (CID 19811158) is 3-(6-phenylhexylamino)propanoic acid.
What is the SMILES notation for 3-(6-phenylhexylamino)propanoic acid?
The canonical SMILES for 3-(6-phenylhexylamino)propanoic acid is O=C(O)CCNCCCCCCc1ccccc1.
What is the InChIKey of 3-(6-phenylhexylamino)propanoic acid?
The InChIKey is HMCHEYMSHNPZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15(18)11-13-16-12-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,16H,1-2,4,7-8,11-13H2,(H,17,18).
What are the key properties of 3-(6-phenylhexylamino)propanoic acid?
3-(6-phenylhexylamino)propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylhexylamino)propanoic acid is sourced from PubChem (CID 19811158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).