[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate

C17H20IN3O5 — CID 55307465

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)NC1CCCC1
InChIInChI=1S/C17H20IN3O5/c18-13-8-4-3-7-12(13)16(24)19-9-15(23)26-10-14(22)21-17(25)20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,24)(H2,20,21,22,25)
InChIKeyISISCAJINYNUGU-UHFFFAOYSA-N
MW473.27 g/mol
LogP1.33
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307465) has the molecular formula C17H20IN3O5 and a molecular weight of 473.27 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307465
Molecular FormulaC17H20IN3O5
Molecular Weight473.27 g/mol
Exact Mass473.04
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)NC1CCCC1
InChIInChI=1S/C17H20IN3O5/c18-13-8-4-3-7-12(13)16(24)19-9-15(23)26-10-14(22)21-17(25)20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,24)(H2,20,21,22,25)
InChIKeyISISCAJINYNUGU-UHFFFAOYSA-N
XLogP1.33
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807760
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
CID 55307473
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701620
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
(4-bromophenyl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307422
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate (CID 55307465) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is ISISCAJINYNUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O5/c18-13-8-4-3-7-12(13)16(24)19-9-15(23)26-10-14(22)21-17(25)20-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,24)(H2,20,21,22,25).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 473.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).