3-(4-amino-3-iodophenyl)propanoic acid

C9H10INO2 — CID 11369803

IUPAC3-(4-amino-3-iodophenyl)propanoic acid
SMILESNc1ccc(CCC(=O)O)cc1I
InChIInChI=1S/C9H10INO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H,12,13)
InChIKeyLMMMJDNRJWZNQB-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.89
Rot. Bonds3

About 3-(4-amino-3-iodophenyl)propanoic acid

3-(4-amino-3-iodophenyl)propanoic acid (PubChem CID 11369803) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 3-(4-amino-3-iodophenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-3-iodophenyl)propanoic acid
PubChem CID11369803
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name3-(4-amino-3-iodophenyl)propanoic acid
SMILESNc1ccc(CCC(=O)O)cc1I
InChIInChI=1S/C9H10INO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H,12,13)
InChIKeyLMMMJDNRJWZNQB-UHFFFAOYSA-N
XLogP1.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methylphenyl)propanoic acid
CID 46948732
(4-amino-3-iodophenyl)methanol
CID 22724559
3-[4-(difluoromethoxy)-3-iodophenyl]propanoic acid
CID 134622013
3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
3-(3-amino-4-ethoxycarbonylphenyl)propanoic acid
CID 134645166
4-(4-amino-3-sulfanylphenyl)butan-2-one
CID 116994252
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-iodophenyl)propanoic acid?
The IUPAC name of 3-(4-amino-3-iodophenyl)propanoic acid (CID 11369803) is 3-(4-amino-3-iodophenyl)propanoic acid.
What is the SMILES notation for 3-(4-amino-3-iodophenyl)propanoic acid?
The canonical SMILES for 3-(4-amino-3-iodophenyl)propanoic acid is Nc1ccc(CCC(=O)O)cc1I.
What is the InChIKey of 3-(4-amino-3-iodophenyl)propanoic acid?
The InChIKey is LMMMJDNRJWZNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H,12,13).
What are the key properties of 3-(4-amino-3-iodophenyl)propanoic acid?
3-(4-amino-3-iodophenyl)propanoic acid has a molecular weight of 291.09 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-iodophenyl)propanoic acid is sourced from PubChem (CID 11369803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).