methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate

C13H19NO4 — CID 170884311

IUPACmethyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC)c(O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-4-8-5-9(7-10(14)13(16)18-3)12(15)11(6-8)17-2/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyKIYXAMZSPNPENI-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate

methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate (PubChem CID 170884311) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
PubChem CID170884311
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
SMILESCCc1cc(CC(N)C(=O)OC)c(O)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-4-8-5-9(7-10(14)13(16)18-3)12(15)11(6-8)17-2/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyKIYXAMZSPNPENI-UHFFFAOYSA-N
XLogP1.01
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84676009
methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 171238105
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
methyl 2-amino-3-(2-hydroxy-5-methoxy-3-methylphenyl)propanoate
CID 170884303
ethyl 2-amino-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate
CID 55152164
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate (CID 170884311) is methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate is CCc1cc(CC(N)C(=O)OC)c(O)c(OC)c1.
What is the InChIKey of methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate?
The InChIKey is KIYXAMZSPNPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-8-5-9(7-10(14)13(16)18-3)12(15)11(6-8)17-2/h5-6,10,15H,4,7,14H2,1-3H3.
What are the key properties of methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate?
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate is sourced from PubChem (CID 170884311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).