ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate

C12H16INO2 — CID 131875959

IUPACethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(N)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-16-11(15)12(2,14)8-9-4-6-10(13)7-5-9/h4-7H,3,8,14H2,1-2H3/t12-/m1/s1
InChIKeyIVFAEEFFNJJSST-GFCCVEGCSA-N
MW333.17 g/mol
LogP2.11
Rot. Bonds4

About ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate

ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate (PubChem CID 131875959) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
PubChem CID131875959
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Nameethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(N)Cc1ccc(I)cc1
InChIInChI=1S/C12H16INO2/c1-3-16-11(15)12(2,14)8-9-4-6-10(13)7-5-9/h4-7H,3,8,14H2,1-2H3/t12-/m1/s1
InChIKeyIVFAEEFFNJJSST-GFCCVEGCSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate
CID 75535024
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
CID 17277
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
ethyl 2-(4-iodophenoxy)-2-methyl-3-oxobutanoate
CID 132524640
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
ethyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate
CID 22804864
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445
ethyl 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate
CID 4114055
ethyl 2-amino-2-benzylbutanoate
CID 10857051
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate?
The IUPAC name of ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate (CID 131875959) is ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate is CCOC(=O)[C@](C)(N)Cc1ccc(I)cc1.
What is the InChIKey of ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate?
The InChIKey is IVFAEEFFNJJSST-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16INO2/c1-3-16-11(15)12(2,14)8-9-4-6-10(13)7-5-9/h4-7H,3,8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate?
ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate has a molecular weight of 333.17 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate is sourced from PubChem (CID 131875959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).