ethyl (2R)-2-amino-2-(3-methylphenyl)acetate

C11H15NO2 — CID 93311210

IUPACethyl (2R)-2-amino-2-(3-methylphenyl)acetate
SMILESCCOC(=O)[C@H](N)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyKVKUTZRBBFVQTG-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds3

About ethyl (2R)-2-amino-2-(3-methylphenyl)acetate

ethyl (2R)-2-amino-2-(3-methylphenyl)acetate (PubChem CID 93311210) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-(3-methylphenyl)acetate
PubChem CID93311210
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl (2R)-2-amino-2-(3-methylphenyl)acetate
SMILESCCOC(=O)[C@H](N)c1cccc(C)c1
InChIInChI=1S/C11H15NO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1
InChIKeyKVKUTZRBBFVQTG-SNVBAGLBSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-chloro-2-(3-methylphenyl)acetate
CID 22600133
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665
2-amino-3-(3-methylphenyl)hexanoic acid
CID 69403442
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
ethyl (2S)-2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
CID 125466808
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-(3-methylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-amino-2-(3-methylphenyl)acetate (CID 93311210) is ethyl (2R)-2-amino-2-(3-methylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-amino-2-(3-methylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-amino-2-(3-methylphenyl)acetate is CCOC(=O)[C@H](N)c1cccc(C)c1.
What is the InChIKey of ethyl (2R)-2-amino-2-(3-methylphenyl)acetate?
The InChIKey is KVKUTZRBBFVQTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-(3-methylphenyl)acetate?
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate has a molecular weight of 193.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-(3-methylphenyl)acetate is sourced from PubChem (CID 93311210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).