2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid

C14H17IN2O4 — CID 66434673

IUPAC2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)Nc2cccc(I)c2)CCO1
InChIInChI=1S/C14H17IN2O4/c15-10-2-1-3-11(6-10)16-13(18)9-17-4-5-21-12(8-17)7-14(19)20/h1-3,6,12H,4-5,7-9H2,(H,16,18)(H,19,20)
InChIKeyZVOSQNMJIZMNOZ-UHFFFAOYSA-N
MW404.20 g/mol
LogP1.41
Rot. Bonds5

About 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid

2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid (PubChem CID 66434673) has the molecular formula C14H17IN2O4 and a molecular weight of 404.20 g/mol. Its IUPAC name is 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
PubChem CID66434673
Molecular FormulaC14H17IN2O4
Molecular Weight404.20 g/mol
Exact Mass404.02
IUPAC Name2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)Nc2cccc(I)c2)CCO1
InChIInChI=1S/C14H17IN2O4/c15-10-2-1-3-11(6-10)16-13(18)9-17-4-5-21-12(8-17)7-14(19)20/h1-3,6,12H,4-5,7-9H2,(H,16,18)(H,19,20)
InChIKeyZVOSQNMJIZMNOZ-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66433081
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
2-[1-[2-(3-iodoanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684262
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid (CID 66434673) is 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(CC(=O)Nc2cccc(I)c2)CCO1.
What is the InChIKey of 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The InChIKey is ZVOSQNMJIZMNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O4/c15-10-2-1-3-11(6-10)16-13(18)9-17-4-5-21-12(8-17)7-14(19)20/h1-3,6,12H,4-5,7-9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid has a molecular weight of 404.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).