2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid

C11H13IN2O3 — CID 61264191

IUPAC2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccccc1I)C(=O)O
InChIInChI=1S/C11H13IN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyOUFYCYRAICQKFG-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.28
Rot. Bonds3

About 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid

2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 61264191) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID61264191
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Nc1ccccc1I)C(=O)O
InChIInChI=1S/C11H13IN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyOUFYCYRAICQKFG-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.28
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

2-[(2-bromophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61266140
2-ethyl-2-[(2-iodophenyl)carbamoylamino]butanoic acid
CID 79804632
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide
CID 15371892
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
4-(2-iodoanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43397082
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 61265931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid (CID 61264191) is 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid is CC(C)(NC(=O)Nc1ccccc1I)C(=O)O.
What is the InChIKey of 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is OUFYCYRAICQKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-11(2,9(15)16)14-10(17)13-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid?
2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 348.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61264191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).