5-[(2-hydroxyphenyl)methylamino]pentanoic acid

C12H17NO3 — CID 103267164

IUPAC5-[(2-hydroxyphenyl)methylamino]pentanoic acid
SMILESO=C(O)CCCCNCc1ccccc1O
InChIInChI=1S/C12H17NO3/c14-11-6-2-1-5-10(11)9-13-8-4-3-7-12(15)16/h1-2,5-6,13-14H,3-4,7-9H2,(H,15,16)
InChIKeyHGJDUOJCZSPLHX-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.74
Rot. Bonds7

About 5-[(2-hydroxyphenyl)methylamino]pentanoic acid

5-[(2-hydroxyphenyl)methylamino]pentanoic acid (PubChem CID 103267164) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylamino]pentanoic acid
PubChem CID103267164
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(2-hydroxyphenyl)methylamino]pentanoic acid
SMILESO=C(O)CCCCNCc1ccccc1O
InChIInChI=1S/C12H17NO3/c14-11-6-2-1-5-10(11)9-13-8-4-3-7-12(15)16/h1-2,5-6,13-14H,3-4,7-9H2,(H,15,16)
InChIKeyHGJDUOJCZSPLHX-UHFFFAOYSA-N
XLogP1.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylamino]pentanoic acid?
The IUPAC name of 5-[(2-hydroxyphenyl)methylamino]pentanoic acid (CID 103267164) is 5-[(2-hydroxyphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylamino]pentanoic acid?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylamino]pentanoic acid is O=C(O)CCCCNCc1ccccc1O.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylamino]pentanoic acid?
The InChIKey is HGJDUOJCZSPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11-6-2-1-5-10(11)9-13-8-4-3-7-12(15)16/h1-2,5-6,13-14H,3-4,7-9H2,(H,15,16).
What are the key properties of 5-[(2-hydroxyphenyl)methylamino]pentanoic acid?
5-[(2-hydroxyphenyl)methylamino]pentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 103267164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).