1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid

C7H10INO3 — CID 165408487

IUPAC1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(I)NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H10INO3/c1-4(8)9-5(10)7(2-3-7)6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyOCLNDRZRLWCBKU-UHFFFAOYSA-N
MW283.06 g/mol
LogP0.75
Rot. Bonds3

About 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid

1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 165408487) has the molecular formula C7H10INO3 and a molecular weight of 283.06 g/mol. Its IUPAC name is 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID165408487
Molecular FormulaC7H10INO3
Molecular Weight283.06 g/mol
Exact Mass282.97
IUPAC Name1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(I)NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C7H10INO3/c1-4(8)9-5(10)7(2-3-7)6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyOCLNDRZRLWCBKU-UHFFFAOYSA-N
XLogP0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113408761
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095418
1-(3-methylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096934
1-(hydrazinecarbonyl)cyclopropane-1-carboxylic acid
CID 10486968
1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095422
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 55035123
1-[4-(dimethylamino)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096094
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 113408093
1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 63959927

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 165408487) is 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid is CC(I)NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is OCLNDRZRLWCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO3/c1-4(8)9-5(10)7(2-3-7)6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 283.06 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165408487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).