ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate

C11H13ClFNO3 — CID 114488235

IUPACethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(N)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3/c1-2-17-11(16)9(14)10(15)6-4-3-5-7(12)8(6)13/h3-5,9-10,15H,2,14H2,1H3
InChIKeyGCNYEXKKOYMZAC-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.40
Rot. Bonds4

About ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate

ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate (PubChem CID 114488235) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
PubChem CID114488235
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC Nameethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(N)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFNO3/c1-2-17-11(16)9(14)10(15)6-4-3-5-7(12)8(6)13/h3-5,9-10,15H,2,14H2,1H3
InChIKeyGCNYEXKKOYMZAC-UHFFFAOYSA-N
XLogP1.40
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
methyl 3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-methylpropanoate
CID 114488817
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
ethyl 2-amino-3-(4-chloro-3-fluorophenyl)-3-hydroxypropanoate
CID 66207155
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
2-(3-chloro-2-fluorophenyl)-2-(ethylamino)acetamide
CID 114488098
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
ethyl 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171866017
ethyl (2R,3S)-2-amino-3-hydroxy-3-phenylpropanoate
CID 759476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate?
The IUPAC name of ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate (CID 114488235) is ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate is CCOC(=O)C(N)C(O)c1cccc(Cl)c1F.
What is the InChIKey of ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate?
The InChIKey is GCNYEXKKOYMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3/c1-2-17-11(16)9(14)10(15)6-4-3-5-7(12)8(6)13/h3-5,9-10,15H,2,14H2,1H3.
What are the key properties of ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate?
ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate has a molecular weight of 261.68 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 114488235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).