ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate

C13H19NO4 — CID 4284804

IUPACethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO4/c1-4-18-13(15)11(14)8-9-7-10(16-2)5-6-12(9)17-3/h5-7,11H,4,8,14H2,1-3H3
InChIKeySDFHCSDWDVACEW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.14
Rot. Bonds6

About ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate

ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate (PubChem CID 4284804) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
PubChem CID4284804
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)ccc1OC
InChIInChI=1S/C13H19NO4/c1-4-18-13(15)11(14)8-9-7-10(16-2)5-6-12(9)17-3/h5-7,11H,4,8,14H2,1-3H3
InChIKeySDFHCSDWDVACEW-UHFFFAOYSA-N
XLogP1.14
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170885510
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate (CID 4284804) is ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate is CCOC(=O)C(N)Cc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate?
The InChIKey is SDFHCSDWDVACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-13(15)11(14)8-9-7-10(16-2)5-6-12(9)17-3/h5-7,11H,4,8,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate?
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 4284804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).