(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide

C10H13IN2O2 — CID 119307887

IUPAC(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C10H13IN2O2/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyYBOJODRFUCFWHS-ZCFIWIBFSA-N
MW320.13 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide

(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide (PubChem CID 119307887) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
PubChem CID119307887
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C10H13IN2O2/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyYBOJODRFUCFWHS-ZCFIWIBFSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.59
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-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
(2R)-2-amino-N-(2-formamido-5-methoxyphenyl)propanamide
CID 143527427
3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307883
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119756577
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide (CID 119307887) is (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide is COc1ccc(I)c(NC(=O)[C@@H](C)N)c1.
What is the InChIKey of (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The InChIKey is YBOJODRFUCFWHS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-6(12)10(14)13-9-5-7(15-2)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide has a molecular weight of 320.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide is sourced from PubChem (CID 119307887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).