benzyl (2R)-2-amino-3-iodopropanoate

C10H12INO2 — CID 11623654

IUPACbenzyl (2R)-2-amino-3-iodopropanoate
SMILESN[C@@H](CI)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12INO2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
InChIKeyZILZUHLQABLCFX-VIFPVBQESA-N
MW305.11 g/mol
LogP1.49
Rot. Bonds4

About benzyl (2R)-2-amino-3-iodopropanoate

benzyl (2R)-2-amino-3-iodopropanoate (PubChem CID 11623654) has the molecular formula C10H12INO2 and a molecular weight of 305.11 g/mol. Its IUPAC name is benzyl (2R)-2-amino-3-iodopropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-3-iodopropanoate
PubChem CID11623654
Molecular FormulaC10H12INO2
Molecular Weight305.11 g/mol
Exact Mass304.99
IUPAC Namebenzyl (2R)-2-amino-3-iodopropanoate
SMILESN[C@@H](CI)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12INO2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
InChIKeyZILZUHLQABLCFX-VIFPVBQESA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-amino-4-iodobutanoate
CID 141050594
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-3-aminooxypropanoate;hydrochloride
CID 134125396
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-3-iodopropanoate?
The IUPAC name of benzyl (2R)-2-amino-3-iodopropanoate (CID 11623654) is benzyl (2R)-2-amino-3-iodopropanoate.
What is the SMILES notation for benzyl (2R)-2-amino-3-iodopropanoate?
The canonical SMILES for benzyl (2R)-2-amino-3-iodopropanoate is N[C@@H](CI)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-amino-3-iodopropanoate?
The InChIKey is ZILZUHLQABLCFX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12INO2/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1.
What are the key properties of benzyl (2R)-2-amino-3-iodopropanoate?
benzyl (2R)-2-amino-3-iodopropanoate has a molecular weight of 305.11 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-3-iodopropanoate is sourced from PubChem (CID 11623654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).