(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

C14H11I2NO5 — CID 99067980

IUPAC(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccco1
InChIInChI=1S/C14H11I2NO5/c15-8-4-7(5-9(16)12(8)18)6-10(14(20)21)17-13(19)11-2-1-3-22-11/h1-5,10,18H,6H2,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyQYMFQQASNBJPDL-SNVBAGLBSA-N
MW527.05 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (PubChem CID 99067980) has the molecular formula C14H11I2NO5 and a molecular weight of 527.05 g/mol. Its IUPAC name is (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
PubChem CID99067980
Molecular FormulaC14H11I2NO5
Molecular Weight527.05 g/mol
Exact Mass526.87
IUPAC Name(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccco1
InChIInChI=1S/C14H11I2NO5/c15-8-4-7(5-9(16)12(8)18)6-10(14(20)21)17-13(19)11-2-1-3-22-11/h1-5,10,18H,6H2,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyQYMFQQASNBJPDL-SNVBAGLBSA-N
XLogP2.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.05
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
(2S)-2-anilino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
CID 141011722
2-(furan-2-carbonylamino)pent-4-enoic acid
CID 115563156
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid?
The IUPAC name of (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid (CID 99067980) is (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid is O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccco1.
What is the InChIKey of (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid?
The InChIKey is QYMFQQASNBJPDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H11I2NO5/c15-8-4-7(5-9(16)12(8)18)6-10(14(20)21)17-13(19)11-2-1-3-22-11/h1-5,10,18H,6H2,(H,17,19)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid?
(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid has a molecular weight of 527.05 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid is sourced from PubChem (CID 99067980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).