4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid

C12H19NO3 — CID 66097321

IUPAC4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-3-9(13)12(4-2,8-11(14)15)10-6-5-7-16-10/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyUAHACHOIMWHUTH-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.14
Rot. Bonds6

About 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid

4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid (PubChem CID 66097321) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
PubChem CID66097321
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-3-9(13)12(4-2,8-11(14)15)10-6-5-7-16-10/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyUAHACHOIMWHUTH-UHFFFAOYSA-N
XLogP2.14
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-ethyl-3-(furan-2-yl)hexanoic 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

4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
CID 112680317
4-amino-3-phenyl-3-propylhexanoic acid
CID 66096089
4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)hexanoic acid
CID 112586778
diethyl 2-(furan-2-yl)-2-hydroxypropanedioate
CID 12836548
methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
CID 66098609
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413
1-(furan-2-yl)-1-phenylpropan-1-ol
CID 63949160
2-amino-1,1-bis(furan-2-yl)propan-1-ol
CID 139948043

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid?
The IUPAC name of 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid (CID 66097321) is 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid.
What is the SMILES notation for 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid?
The canonical SMILES for 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid is CCC(N)C(CC)(CC(=O)O)c1ccco1.
What is the InChIKey of 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid?
The InChIKey is UAHACHOIMWHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-9(13)12(4-2,8-11(14)15)10-6-5-7-16-10/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid?
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid is sourced from PubChem (CID 66097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).