methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate

C12H17NO2 — CID 145416225

IUPACmethyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-5-10(6-9(8)2)7-11(13)12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1
InChIKeyLPJNTMUJZOQQED-LLVKDONJSA-N
MW207.27 g/mol
LogP1.35
Rot. Bonds3

About methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate

methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate (PubChem CID 145416225) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
PubChem CID145416225
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-4-5-10(6-9(8)2)7-11(13)12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1
InChIKeyLPJNTMUJZOQQED-LLVKDONJSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
methyl 2-amino-4-(3,4-dimethylphenyl)butanoate
CID 116851437
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-[(3,4-dimethylphenyl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973412
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2S)-2-amino-3-[3-(deuteriomethyl)-4-fluorophenyl]propanoate;hydrochloride
CID 141024955
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl 2-amino-3-[4-[(2Z)-2-ethylidenehydrazinyl]-3-methylphenyl]propanoate
CID 142840206
methyl 2-amino-3-(3-amino-4-hydroxyphenyl)propanoate
CID 86019498
methyl 2-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 68772138
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-aminopropanoate
CID 170883282

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate (CID 145416225) is methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate is COC(=O)[C@H](N)Cc1ccc(C)c(C)c1.
What is the InChIKey of methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate?
The InChIKey is LPJNTMUJZOQQED-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-5-10(6-9(8)2)7-11(13)12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate?
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate is sourced from PubChem (CID 145416225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).