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

C12H19NO3 — CID 115219138

IUPAC5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
SMILESCc1ccc(CCNCCCCC(=O)O)o1
InChIInChI=1S/C12H19NO3/c1-10-5-6-11(16-10)7-9-13-8-3-2-4-12(14)15/h5-6,13H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyVFYPGKFPCXCHGL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.98
Rot. Bonds8

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

5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid (PubChem CID 115219138) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
PubChem CID115219138
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
SMILESCc1ccc(CCNCCCCC(=O)O)o1
InChIInChI=1S/C12H19NO3/c1-10-5-6-11(16-10)7-9-13-8-3-2-4-12(14)15/h5-6,13H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyVFYPGKFPCXCHGL-UHFFFAOYSA-N
XLogP1.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
5-[(5-methylfuran-2-yl)amino]pentanoic acid
CID 115218913
5-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 103256373
5-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]-5-oxopentanoic acid
CID 115163900
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid (CID 115219138) is 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid is Cc1ccc(CCNCCCCC(=O)O)o1.
What is the InChIKey of 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid?
The InChIKey is VFYPGKFPCXCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10-5-6-11(16-10)7-9-13-8-3-2-4-12(14)15/h5-6,13H,2-4,7-9H2,1H3,(H,14,15).
What are the key properties of 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid?
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 115219138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).