(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide

C9H11IN2O2 — CID 5288643

IUPAC(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
SMILESN[C@H](Cc1ccc(I)cc1)C(=O)NO
InChIInChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyAJEPKWPHKPETBM-MRVPVSSYSA-N
MW306.10 g/mol
LogP0.67
Rot. Bonds3

About (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide

(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide (PubChem CID 5288643) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
PubChem CID5288643
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
SMILESN[C@H](Cc1ccc(I)cc1)C(=O)NO
InChIInChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyAJEPKWPHKPETBM-MRVPVSSYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide (CID 5288643) is (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide is N[C@H](Cc1ccc(I)cc1)C(=O)NO.
What is the InChIKey of (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide?
The InChIKey is AJEPKWPHKPETBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide?
(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide has a molecular weight of 306.10 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide is sourced from PubChem (CID 5288643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).