1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10INO3 — CID 62096054

IUPAC1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C11H10INO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeyJKWJQPPAJTXDGZ-UHFFFAOYSA-N
MW331.11 g/mol
LogP2.09
Rot. Bonds3

About 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096054) has the molecular formula C11H10INO3 and a molecular weight of 331.11 g/mol. Its IUPAC name is 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096054
Molecular FormulaC11H10INO3
Molecular Weight331.11 g/mol
Exact Mass330.97
IUPAC Name1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc(I)c2)CC1
InChIInChI=1S/C11H10INO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeyJKWJQPPAJTXDGZ-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
4-(N'-hydroxycarbamimidoyl)-N-(3-iodophenyl)oxane-4-carboxamide
CID 76920427
1-(aminomethyl)-N-(3-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674707
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-(1-hydroxycyclopentyl)-N-(3-iodophenyl)acetamide
CID 111432130
N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107022124
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096054) is 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2cccc(I)c2)CC1.
What is the InChIKey of 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JKWJQPPAJTXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 331.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).