5-[(5-methylfuran-2-yl)amino]pentanoic acid

C10H15NO3 — CID 115218913

IUPAC5-[(5-methylfuran-2-yl)amino]pentanoic acid
SMILESCc1ccc(NCCCCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-8-5-6-9(14-8)11-7-3-2-4-10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyHZWAGWUETGFISO-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.25
Rot. Bonds6

About 5-[(5-methylfuran-2-yl)amino]pentanoic acid

5-[(5-methylfuran-2-yl)amino]pentanoic acid (PubChem CID 115218913) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-[(5-methylfuran-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-methylfuran-2-yl)amino]pentanoic acid
PubChem CID115218913
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-[(5-methylfuran-2-yl)amino]pentanoic acid
SMILESCc1ccc(NCCCCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-8-5-6-9(14-8)11-7-3-2-4-10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13)
InChIKeyHZWAGWUETGFISO-UHFFFAOYSA-N
XLogP2.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylfuran-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(5-methylfuran-2-yl)amino]pentanoic acid (CID 115218913) is 5-[(5-methylfuran-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-methylfuran-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-methylfuran-2-yl)amino]pentanoic acid is Cc1ccc(NCCCCC(=O)O)o1.
What is the InChIKey of 5-[(5-methylfuran-2-yl)amino]pentanoic acid?
The InChIKey is HZWAGWUETGFISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-5-6-9(14-8)11-7-3-2-4-10(12)13/h5-6,11H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 5-[(5-methylfuran-2-yl)amino]pentanoic acid?
5-[(5-methylfuran-2-yl)amino]pentanoic acid has a molecular weight of 197.23 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylfuran-2-yl)amino]pentanoic acid is sourced from PubChem (CID 115218913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).