1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid

C12H12INO3 — CID 81158516

IUPAC1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(I)cc1
InChIInChI=1S/C12H12INO3/c13-9-4-2-8(3-5-9)10(15)14-12(11(16)17)6-1-7-12/h2-5H,1,6-7H2,(H,14,15)(H,16,17)
InChIKeyXXCPHXNOMNIYRF-UHFFFAOYSA-N
MW345.14 g/mol
LogP2.03
Rot. Bonds3

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

1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158516) has the molecular formula C12H12INO3 and a molecular weight of 345.14 g/mol. Its IUPAC name is 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158516
Molecular FormulaC12H12INO3
Molecular Weight345.14 g/mol
Exact Mass344.99
IUPAC Name1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccc(I)cc1
InChIInChI=1S/C12H12INO3/c13-9-4-2-8(3-5-9)10(15)14-12(11(16)17)6-1-7-12/h2-5H,1,6-7H2,(H,14,15)(H,16,17)
InChIKeyXXCPHXNOMNIYRF-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 52.03
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

1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164274
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
N-(1-cyanocyclobutyl)-4-iodobenzamide
CID 55137573
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
CID 64672187
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81158516) is 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is XXCPHXNOMNIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO3/c13-9-4-2-8(3-5-9)10(15)14-12(11(16)17)6-1-7-12/h2-5H,1,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 345.14 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).