2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid

C14H16INO3 — CID 45345832

IUPAC2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid
SMILESO=C(CC1CCCC1)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C14H16INO3/c15-10-5-6-12(11(8-10)14(18)19)16-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeySJQRCUQKGUZBKD-UHFFFAOYSA-N
MW373.19 g/mol
LogP3.51
Rot. Bonds4

About 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid

2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid (PubChem CID 45345832) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid
PubChem CID45345832
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid
SMILESO=C(CC1CCCC1)Nc1ccc(I)cc1C(=O)O
InChIInChI=1S/C14H16INO3/c15-10-5-6-12(11(8-10)14(18)19)16-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeySJQRCUQKGUZBKD-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 53.51
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

5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
5-iodo-2-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 63111350
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
5-iodo-2-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271990
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63955052
5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
CID 55179038
5-iodo-2-(3-methylsulfonylpropanoylamino)benzoic acid
CID 63111183
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid (CID 45345832) is 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid is O=C(CC1CCCC1)Nc1ccc(I)cc1C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid?
The InChIKey is SJQRCUQKGUZBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-10-5-6-12(11(8-10)14(18)19)16-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid?
2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid has a molecular weight of 373.19 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 45345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).