2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid

C14H16INO3 — CID 64672187

IUPAC2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H16INO3/c15-11-5-3-10(4-6-11)13(19)16-14(9-12(17)18)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyCANQZYBPQSZQOA-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.81
Rot. Bonds4

About 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 64672187) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
PubChem CID64672187
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(I)cc2)CCCC1
InChIInChI=1S/C14H16INO3/c15-11-5-3-10(4-6-11)13(19)16-14(9-12(17)18)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19)(H,17,18)
InChIKeyCANQZYBPQSZQOA-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339
2-[1-[(4-ethoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79849172
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid (CID 64672187) is 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(I)cc2)CCCC1.
What is the InChIKey of 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is CANQZYBPQSZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-11-5-3-10(4-6-11)13(19)16-14(9-12(17)18)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 373.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-iodobenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).