2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid

C14H17IN2O3 — CID 60833237

IUPAC2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1cc(I)ccc1NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C14H17IN2O3/c1-9-6-10(15)2-5-12(9)16-13(18)7-17(8-14(19)20)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBDZZBDHKMDVHC-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.09
Rot. Bonds6

About 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid

2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 60833237) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID60833237
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC Name2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCc1cc(I)ccc1NC(=O)CN(CC(=O)O)C1CC1
InChIInChI=1S/C14H17IN2O3/c1-9-6-10(15)2-5-12(9)16-13(18)7-17(8-14(19)20)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyFBDZZBDHKMDVHC-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]acetic acid
CID 60708310
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
2-[1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617120

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid (CID 60833237) is 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid is Cc1cc(I)ccc1NC(=O)CN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is FBDZZBDHKMDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c1-9-6-10(15)2-5-12(9)16-13(18)7-17(8-14(19)20)11-3-4-11/h2,5-6,11H,3-4,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 388.21 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 60833237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).