2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid

C18H20N2O5 — CID 119223465

IUPAC2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-2-13(18(23)24)19-16(21)14(11-12-7-4-3-5-8-12)20-17(22)15-9-6-10-25-15/h3-10,13-14H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUILKHDVWZHYZLU-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.60
Rot. Bonds8

About 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid

2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid (PubChem CID 119223465) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
PubChem CID119223465
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
SMILESCCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-2-13(18(23)24)19-16(21)14(11-12-7-4-3-5-8-12)20-17(22)15-9-6-10-25-15/h3-10,13-14H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUILKHDVWZHYZLU-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic 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

(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid (CID 119223465) is 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid is CCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid?
The InChIKey is UILKHDVWZHYZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-2-13(18(23)24)19-16(21)14(11-12-7-4-3-5-8-12)20-17(22)15-9-6-10-25-15/h3-10,13-14H,2,11H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid?
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid has a molecular weight of 344.37 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid is sourced from PubChem (CID 119223465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).