2-[(4-iodophenyl)carbamoylamino]acetic acid

C9H9IN2O3 — CID 43445581

IUPAC2-[(4-iodophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C9H9IN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChIKeyVKENEJOZRWGVSK-UHFFFAOYSA-N
MW320.09 g/mol
LogP1.50
Rot. Bonds3

About 2-[(4-iodophenyl)carbamoylamino]acetic acid

2-[(4-iodophenyl)carbamoylamino]acetic acid (PubChem CID 43445581) has the molecular formula C9H9IN2O3 and a molecular weight of 320.09 g/mol. Its IUPAC name is 2-[(4-iodophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-iodophenyl)carbamoylamino]acetic acid
PubChem CID43445581
Molecular FormulaC9H9IN2O3
Molecular Weight320.09 g/mol
Exact Mass319.97
IUPAC Name2-[(4-iodophenyl)carbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C9H9IN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChIKeyVKENEJOZRWGVSK-UHFFFAOYSA-N
XLogP1.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28976735
(E)-4-[(4-iodophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 28976740
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
4-[[(4-iodophenyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440290

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4-iodophenyl)carbamoylamino]acetic acid (CID 43445581) is 2-[(4-iodophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-iodophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4-iodophenyl)carbamoylamino]acetic acid is O=C(O)CNC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)carbamoylamino]acetic acid?
The InChIKey is VKENEJOZRWGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(4-iodophenyl)carbamoylamino]acetic acid?
2-[(4-iodophenyl)carbamoylamino]acetic acid has a molecular weight of 320.09 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 43445581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).