2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid

C18H20N2O5 — CID 119233505

IUPAC2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-12(20-17(22)14-7-8-25-11-14)16(21)19-10-15(18(23)24)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyIRZUKMLLWHOVDG-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.46
Rot. Bonds8

About 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid

2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid (PubChem CID 119233505) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
PubChem CID119233505
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-12(20-17(22)14-7-8-25-11-14)16(21)19-10-15(18(23)24)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyIRZUKMLLWHOVDG-UHFFFAOYSA-N
XLogP1.46
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]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-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
2-[(2-acetamidopropanoylamino)methyl]-3-phenylpropanoic acid
CID 119234020
2-benzyl-3-[2-(2,2-dimethylpropanoylamino)propanoylamino]propanoic acid
CID 119233396
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid?
The IUPAC name of 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid (CID 119233505) is 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid is CC(NC(=O)c1ccoc1)C(=O)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid?
The InChIKey is IRZUKMLLWHOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(20-17(22)14-7-8-25-11-14)16(21)19-10-15(18(23)24)9-13-5-3-2-4-6-13/h2-8,11-12,15H,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid?
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid has a molecular weight of 344.37 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 119233505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).