ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate

C11H14ClNO3 — CID 85373846

IUPACethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)(CN)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2,7,13H2,1H3
InChIKeyDXPYNUAQOCQJBB-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.05
Rot. Bonds4

About ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate

ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate (PubChem CID 85373846) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
PubChem CID85373846
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)(CN)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2,7,13H2,1H3
InChIKeyDXPYNUAQOCQJBB-UHFFFAOYSA-N
XLogP1.05
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
CID 62213944
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
CID 10667517
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
butyl 3-amino-2-hydroxy-2-phenylpropanoate
CID 54483701
2-(4-chlorophenyl)-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974743
2-(4-chlorophenyl)-2-ethoxycarbonyl-4-methylpent-4-enoic acid
CID 103974766
ethyl (2S)-2-hydroxy-2-(4-methylphenyl)-3-nitropropanoate
CID 124656085
ethyl 2-(3-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 83411281

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate?
The IUPAC name of ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate (CID 85373846) is ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate is CCOC(=O)C(O)(CN)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate?
The InChIKey is DXPYNUAQOCQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-16-10(14)11(15,7-13)8-3-5-9(12)6-4-8/h3-6,15H,2,7,13H2,1H3.
What are the key properties of ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate?
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate has a molecular weight of 243.69 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate is sourced from PubChem (CID 85373846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).