3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

C15H21NO5 — CID 4104784

IUPAC3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)CC2CCCO2)c(C)o1
InChIInChI=1S/C15H21NO5/c1-10-8-13(11(2)21-10)15(19)16(6-5-14(17)18)9-12-4-3-7-20-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyLIMXOFMOGAISDD-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.99
Rot. Bonds6

About 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 4104784) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID4104784
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)CC2CCCO2)c(C)o1
InChIInChI=1S/C15H21NO5/c1-10-8-13(11(2)21-10)15(19)16(6-5-14(17)18)9-12-4-3-7-20-12/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyLIMXOFMOGAISDD-UHFFFAOYSA-N
XLogP1.99
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic 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

N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780281
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154192
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209718
3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (CID 4104784) is 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is Cc1cc(C(=O)N(CCC(=O)O)CC2CCCO2)c(C)o1.
What is the InChIKey of 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is LIMXOFMOGAISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-8-13(11(2)21-10)15(19)16(6-5-14(17)18)9-12-4-3-7-20-12/h8,12H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 4104784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).