2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid

C11H15NO4 — CID 66204925

IUPAC2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
SMILESCCOc1cccc(C(O)C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)10(13)9(12)11(14)15/h3-6,9-10,13H,2,12H2,1H3,(H,14,15)
InChIKeyKAOSVPPWPUGOEJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.53
Rot. Bonds5

About 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid

2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid (PubChem CID 66204925) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
PubChem CID66204925
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
SMILESCCOc1cccc(C(O)C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)10(13)9(12)11(14)15/h3-6,9-10,13H,2,12H2,1H3,(H,14,15)
InChIKeyKAOSVPPWPUGOEJ-UHFFFAOYSA-N
XLogP0.53
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
(3S)-3-amino-3-(3-ethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171248214

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid (CID 66204925) is 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid is CCOc1cccc(C(O)C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid?
The InChIKey is KAOSVPPWPUGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)10(13)9(12)11(14)15/h3-6,9-10,13H,2,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid?
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66204925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).