3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide

C11H15NO4 — CID 171868100

IUPAC3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
SMILESCCOc1cccc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)9(13)10(14)11(12)15/h3-6,9-10,13-14H,2H2,1H3,(H2,12,15)
InChIKeyBWMCMRYZQLNRRK-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.04
Rot. Bonds5

About 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide

3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868100) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868100
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
SMILESCCOc1cccc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)9(13)10(14)11(12)15/h3-6,9-10,13-14H,2H2,1H3,(H2,12,15)
InChIKeyBWMCMRYZQLNRRK-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
3-(3-ethoxyphenyl)pentanediamide
CID 20546636
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
chloro-(3-ethoxyphenyl)methanol
CID 141156919
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide (CID 171868100) is 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide is CCOc1cccc(C(O)C(O)C(N)=O)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is BWMCMRYZQLNRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-16-8-5-3-4-7(6-8)9(13)10(14)11(12)15/h3-6,9-10,13-14H,2H2,1H3,(H2,12,15).
What are the key properties of 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide?
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 225.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).