5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid

C17H25NO2 — CID 54326836

IUPAC5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
SMILESNCCCCC=Cc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO2/c18-14-6-2-1-3-7-15-10-12-16(13-11-15)8-4-5-9-17(19)20/h3,7,10-13H,1-2,4-6,8-9,14,18H2,(H,19,20)
InChIKeySVNPKGADXJOJTB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds10

About 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid

5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid (PubChem CID 54326836) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
PubChem CID54326836
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
SMILESNCCCCC=Cc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO2/c18-14-6-2-1-3-7-15-10-12-16(13-11-15)8-4-5-9-17(19)20/h3,7,10-13H,1-2,4-6,8-9,14,18H2,(H,19,20)
InChIKeySVNPKGADXJOJTB-UHFFFAOYSA-N
XLogP3.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
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

2-[4-(6-aminohex-1-enyl)phenyl]acetic acid
CID 54019065
4-[4-(4-hydroxybut-1-enyl)phenyl]butanoic acid
CID 170477380
methyl 3-[4-(6-aminohex-1-enyl)phenyl]propanoate
CID 54439046
methyl 3-[4-[(E)-6-aminohex-1-enyl]phenyl]propanoate
CID 70523288
4-[4-(4-sulfanylbut-1-enyl)phenyl]butanoic acid
CID 170479159
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
3-[4-(6-aminohexyl)phenyl]prop-2-enoic acid
CID 175282584
3-[4-(4-hydroxybut-1-enyl)phenyl]propanoic acid
CID 170477084
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid?
The IUPAC name of 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid (CID 54326836) is 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid?
The canonical SMILES for 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid is NCCCCC=Cc1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid?
The InChIKey is SVNPKGADXJOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-14-6-2-1-3-7-15-10-12-16(13-11-15)8-4-5-9-17(19)20/h3,7,10-13H,1-2,4-6,8-9,14,18H2,(H,19,20).
What are the key properties of 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid?
5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid is sourced from PubChem (CID 54326836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).