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

C12H17NO2 — CID 92959953

IUPACethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)11(13)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1
InChIKeyNPSYCLHHTUNXOD-LLVKDONJSA-N
MW207.27 g/mol
LogP1.43
Rot. Bonds4

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

ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate (PubChem CID 92959953) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
PubChem CID92959953
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)11(13)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1
InChIKeyNPSYCLHHTUNXOD-LLVKDONJSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl 2-amino-4-[(3-methylphenyl)methylsulfanyl]butanoate
CID 63035647
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-(3-bromo-5-methylphenyl)propanoate
CID 5109385

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate (CID 92959953) is ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate is CCOC(=O)[C@H](N)Cc1cccc(C)c1.
What is the InChIKey of ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate?
The InChIKey is NPSYCLHHTUNXOD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)11(13)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate?
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.43, 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-(3-methylphenyl)propanoate is sourced from PubChem (CID 92959953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).