2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid

C13H15IN2O3 — CID 61184318

IUPAC2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccccc1I)(C(=O)O)C1CC1
InChIInChI=1S/C13H15IN2O3/c1-13(11(17)18,8-6-7-8)16-12(19)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUXUIQIZTDRFCDQ-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid

2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid (PubChem CID 61184318) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
PubChem CID61184318
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1ccccc1I)(C(=O)O)C1CC1
InChIInChI=1S/C13H15IN2O3/c1-13(11(17)18,8-6-7-8)16-12(19)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyUXUIQIZTDRFCDQ-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.67
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-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398
2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61264191
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
2-ethyl-2-[(2-iodophenyl)carbamoylamino]butanoic acid
CID 79804632
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-(2-methylsulfonylanilino)propanoic acid
CID 64668866
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylpropanoic acid
CID 62487893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid (CID 61184318) is 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1ccccc1I)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid?
The InChIKey is UXUIQIZTDRFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c1-13(11(17)18,8-6-7-8)16-12(19)15-10-5-3-2-4-9(10)14/h2-5,8H,6-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid?
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid has a molecular weight of 374.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61184318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).