ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate

C11H14ClNO3 — CID 70541390

IUPACethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C11H14ClNO3/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6,14H,3,13H2,1-2H3
InChIKeyCLBHUHOKOFJELR-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate

ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate (PubChem CID 70541390) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
PubChem CID70541390
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C11H14ClNO3/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6,14H,3,13H2,1-2H3
InChIKeyCLBHUHOKOFJELR-UHFFFAOYSA-N
XLogP2.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
CID 106987677
2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
CID 70556848
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
ethyl (2S)-2-(2-amino-4-bromophenyl)propanoate
CID 162468929
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
ethyl 4-(3-amino-5-chloro-2-hydroxyphenyl)but-3-enoate
CID 170796217
ethyl 5-(3-amino-5-chloro-2-hydroxyphenyl)-5-oxopentanoate
CID 70554812
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
4-chloro-2,6-bis(1-ethoxyethyl)phenol
CID 22323621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate (CID 70541390) is ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate is CCOC(=O)C(C)c1cc(Cl)cc(N)c1O.
What is the InChIKey of ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate?
The InChIKey is CLBHUHOKOFJELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-3-16-11(15)6(2)8-4-7(12)5-9(13)10(8)14/h4-6,14H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate?
ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate has a molecular weight of 243.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 70541390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).