ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate

C13H19NO2 — CID 4031511

IUPACethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-4-16-13(15)12(14)8-11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3
InChIKeyMWNOCAMSOMAEJY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds4

About ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate

ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate (PubChem CID 4031511) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
PubChem CID4031511
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-4-16-13(15)12(14)8-11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3
InChIKeyMWNOCAMSOMAEJY-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
CID 170885706
2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116849913
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
ethyl 2-amino-3-[4-(dibenzylamino)-2-methylphenyl]propanoate
CID 170886126
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate (CID 4031511) is ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(C)cc1C.
What is the InChIKey of ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate?
The InChIKey is MWNOCAMSOMAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-13(15)12(14)8-11-6-5-9(2)7-10(11)3/h5-7,12H,4,8,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate?
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate has a molecular weight of 221.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate is sourced from PubChem (CID 4031511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).