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

C12H17NO2 — CID 7256494

IUPACmethyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-8-4-5-10(9(2)6-8)11(13)7-12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1
InChIKeyDVOQYEQMVYMSJH-LLVKDONJSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds3

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

methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate (PubChem CID 7256494) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
PubChem CID7256494
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-8-4-5-10(9(2)6-8)11(13)7-12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1
InChIKeyDVOQYEQMVYMSJH-LLVKDONJSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl 4-(2,4-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82349770
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
methyl (3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 171239593
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
methyl (3R)-3-amino-3-(2,4-dihydroxyphenyl)propanoate;hydrochloride
CID 171246307
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
methyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171242625

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate (CID 7256494) is methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate is COC(=O)C[C@@H](N)c1ccc(C)cc1C.
What is the InChIKey of methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate?
The InChIKey is DVOQYEQMVYMSJH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-4-5-10(9(2)6-8)11(13)7-12(14)15-3/h4-6,11H,7,13H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate?
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate is sourced from PubChem (CID 7256494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).