2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H16INO3 — CID 82759798

IUPAC2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16INO3/c1-14(13(18)19)8-2-3-11(14)16-12(17)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRNQFCRZUMYDTK-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.66
Rot. Bonds3

About 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759798) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759798
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16INO3/c1-14(13(18)19)8-2-3-11(14)16-12(17)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRNQFCRZUMYDTK-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
2-[(4-amino-3-bromobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763308
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834
2-[(2-hydroxy-5-iodobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 107731451
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 104669963
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759798) is 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is KRNQFCRZUMYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c1-14(13(18)19)8-2-3-11(14)16-12(17)9-4-6-10(15)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 373.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).