8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid

C15H23NO3 — CID 174936072

IUPAC8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid
SMILESNCCCCCCC(Cc1ccccc1O)C(=O)O
InChIInChI=1S/C15H23NO3/c16-10-6-2-1-3-8-13(15(18)19)11-12-7-4-5-9-14(12)17/h4-5,7,9,13,17H,1-3,6,8,10-11,16H2,(H,18,19)
InChIKeyAYZULEHYUFMJKE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.54
Rot. Bonds9

About 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid

8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid (PubChem CID 174936072) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid.

Molecular Properties

Compound Name8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid
PubChem CID174936072
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid
SMILESNCCCCCCC(Cc1ccccc1O)C(=O)O
InChIInChI=1S/C15H23NO3/c16-10-6-2-1-3-8-13(15(18)19)11-12-7-4-5-9-14(12)17/h4-5,7,9,13,17H,1-3,6,8,10-11,16H2,(H,18,19)
InChIKeyAYZULEHYUFMJKE-UHFFFAOYSA-N
XLogP2.54
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[(2-hydroxyphenyl)methylamino]hexanoic acid
CID 85204947
6-amino-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 104681512
6-amino-2-(pyrimidin-2-ylmethyl)hexanoic acid
CID 104681371
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-[(2-chlorophenyl)methyl]octanoic acid
CID 60793381
(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
CID 156568497
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
5-fluoro-2-[(2-methylphenyl)methyl]pentanoic acid
CID 81113888
6-amino-2-[(3-bromophenyl)methyl]hexanoic acid
CID 104681509
5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid
CID 104681339
6-amino-2-[(E)-3-phenylprop-2-enyl]hexanoic acid
CID 104681542
4-amino-2-benzylbutanoic acid
CID 16679765

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid?
The IUPAC name of 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid (CID 174936072) is 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid.
What is the SMILES notation for 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid?
The canonical SMILES for 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid is NCCCCCCC(Cc1ccccc1O)C(=O)O.
What is the InChIKey of 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid?
The InChIKey is AYZULEHYUFMJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-10-6-2-1-3-8-13(15(18)19)11-12-7-4-5-9-14(12)17/h4-5,7,9,13,17H,1-3,6,8,10-11,16H2,(H,18,19).
What are the key properties of 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid?
8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid is sourced from PubChem (CID 174936072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).