3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid

C11H12INO5 — CID 22084039

IUPAC3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid
SMILESCOC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O
InChIInChI=1S/C11H12INO5/c1-18-11(17)13-8(10(15)16)5-6-2-3-9(14)7(12)4-6/h2-4,8,14H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyFDYFARFFYXPLHT-UHFFFAOYSA-N
MW365.12 g/mol
LogP1.35
Rot. Bonds4

About 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid

3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid (PubChem CID 22084039) has the molecular formula C11H12INO5 and a molecular weight of 365.12 g/mol. Its IUPAC name is 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid
PubChem CID22084039
Molecular FormulaC11H12INO5
Molecular Weight365.12 g/mol
Exact Mass364.98
IUPAC Name3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid
SMILESCOC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O
InChIInChI=1S/C11H12INO5/c1-18-11(17)13-8(10(15)16)5-6-2-3-9(14)7(12)4-6/h2-4,8,14H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyFDYFARFFYXPLHT-UHFFFAOYSA-N
XLogP1.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)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

(2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 54553136
(2S)-3-(4-hydroxy-3-iodophenyl)-2-(methylamino)propanoic acid
CID 59075719
methyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10695066
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-(methoxycarbonylamino)propanoic acid
CID 75115395
2-[[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]carbamoyloxycarbonylamino]-3-(3,4-dihydroxyphenyl)propanoic acid
CID 175283276
(2R)-3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 3008357
3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-(prop-1-en-2-yloxycarbonylamino)propanoic acid
CID 89334749
2-acetamido-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 18628327
methyl 3-(4-hydroxy-3-iodophenyl)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 135347745
methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride
CID 19873283
tert-butyl N-[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamate
CID 59897167
(2S)-3-(3,4-dihydroxyphenyl)-2-[(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018424

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid (CID 22084039) is 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid is COC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O.
What is the InChIKey of 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid?
The InChIKey is FDYFARFFYXPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO5/c1-18-11(17)13-8(10(15)16)5-6-2-3-9(14)7(12)4-6/h2-4,8,14H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid?
3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid has a molecular weight of 365.12 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-iodophenyl)-2-(methoxycarbonylamino)propanoic acid is sourced from PubChem (CID 22084039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).