ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate

C11H15NO3 — CID 686204

IUPACethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)7-10(12)8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m1/s1
InChIKeyPDADOBFUFCHAHV-SNVBAGLBSA-N
MW209.24 g/mol
LogP1.35
Rot. Bonds4

About ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate

ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate (PubChem CID 686204) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
PubChem CID686204
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)7-10(12)8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m1/s1
InChIKeyPDADOBFUFCHAHV-SNVBAGLBSA-N
XLogP1.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl 3-amino-3-(3-bromophenyl)propanoate;hydrochloride
CID 130177192
ethyl (3R)-3-(3-hydroxyphenyl)-4-methoxybutanoate
CID 125042068
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
ethyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate
CID 118653603
ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
CID 76598792
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
ethyl (3S)-3-amino-3-(2,5-dihydroxyphenyl)propanoate
CID 171220684
ethyl (3S)-3-amino-3-(3-thiophen-2-ylphenyl)propanoate
CID 140935860

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate (CID 686204) is ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate is CCOC(=O)C[C@@H](N)c1cccc(O)c1.
What is the InChIKey of ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate?
The InChIKey is PDADOBFUFCHAHV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)7-10(12)8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate?
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate has a molecular weight of 209.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 686204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).