methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate

C11H15NO2 — CID 97184757

IUPACmethyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)Cc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1
InChIKeyHKAZGLLLJSDUGU-MRVPVSSYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds3

About methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate

methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate (PubChem CID 97184757) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
PubChem CID97184757
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)Cc1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1
InChIKeyHKAZGLLLJSDUGU-MRVPVSSYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 3-(4-aminophenyl)-2-propan-2-yloxypropanoate
CID 141068756
methyl 4,4-bis(4-aminophenyl)-2-methylbutanoate
CID 70366477
methyl 3-[4-(1-aminocyclopropyl)phenyl]-2-methylpropanoate
CID 115039582
methane;methyl (2S)-2-methyl-3-(4-nitrophenyl)propanoate
CID 158629845
methyl 3-(5-amino-2-methylphenyl)-2-methylpropanoate
CID 84675387
methyl (2S)-3-[4-(3-aminooxypropoxy)phenyl]-2-methylpropanoate
CID 59873641
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 3-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
CID 142686097

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate (CID 97184757) is methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate is COC(=O)[C@H](C)Cc1ccc(N)cc1.
What is the InChIKey of methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate?
The InChIKey is HKAZGLLLJSDUGU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate?
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate is sourced from PubChem (CID 97184757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).