(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide

C10H11NO4 — CID 94681442

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO4/c1-6(12)10(13)11-7-2-3-8-9(4-7)15-5-14-8/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyDEDYDJBOLQRCQS-ZCFIWIBFSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds2

About (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide (PubChem CID 94681442) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
PubChem CID94681442
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C10H11NO4/c1-6(12)10(13)11-7-2-3-8-9(4-7)15-5-14-8/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyDEDYDJBOLQRCQS-ZCFIWIBFSA-N
XLogP0.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
(2R)-2-amino-N-(1,3-benzodioxol-5-yl)-3-methylsulfanylpropanamide
CID 139602945
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
N-(1,3-benzodioxol-5-yl)-3-(2-methylpropanoylamino)benzamide
CID 649011
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-cyclopentyl-dimethylazanium
CID 8875773
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821639
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide (CID 94681442) is (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide is C[C@@H](O)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide?
The InChIKey is DEDYDJBOLQRCQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)10(13)11-7-2-3-8-9(4-7)15-5-14-8/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide has a molecular weight of 209.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide is sourced from PubChem (CID 94681442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).