2-[4-(6-aminohex-1-enyl)phenyl]acetic acid

C14H19NO2 — CID 54019065

IUPAC2-[4-(6-aminohex-1-enyl)phenyl]acetic acid
SMILESNCCCCC=Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO2/c15-10-4-2-1-3-5-12-6-8-13(9-7-12)11-14(16)17/h3,5-9H,1-2,4,10-11,15H2,(H,16,17)
InChIKeyKXQOIYKCRHNEDX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid

2-[4-(6-aminohex-1-enyl)phenyl]acetic acid (PubChem CID 54019065) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-aminohex-1-enyl)phenyl]acetic acid
PubChem CID54019065
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[4-(6-aminohex-1-enyl)phenyl]acetic acid
SMILESNCCCCC=Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H19NO2/c15-10-4-2-1-3-5-12-6-8-13(9-7-12)11-14(16)17/h3,5-9H,1-2,4,10-11,15H2,(H,16,17)
InChIKeyKXQOIYKCRHNEDX-UHFFFAOYSA-N
XLogP2.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.46
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

5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
CID 54326836
methyl 3-[4-(6-aminohex-1-enyl)phenyl]propanoate
CID 54439046
methyl 3-[4-[(E)-6-aminohex-1-enyl]phenyl]propanoate
CID 70523288
2-(4-prop-1-enylphenyl)acetic acid
CID 70128310
2-[4-[(E)-2-[3,5-bis[(E)-2-[4-(carboxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetic acid;ethane
CID 145426208
3-[4-[(E)-non-1-enyl]phenyl]propanoic acid
CID 67913718
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
2-[4-[(1E)-buta-1,3-dienyl]phenyl]acetic acid
CID 143366229
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
4-(19-aminononadec-1-enyl)benzene-1,2-diol
CID 67683385
1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
CID 169463829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid (CID 54019065) is 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid is NCCCCC=Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid?
The InChIKey is KXQOIYKCRHNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-10-4-2-1-3-5-12-6-8-13(9-7-12)11-14(16)17/h3,5-9H,1-2,4,10-11,15H2,(H,16,17).
What are the key properties of 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid?
2-[4-(6-aminohex-1-enyl)phenyl]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-aminohex-1-enyl)phenyl]acetic acid is sourced from PubChem (CID 54019065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).