(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol

C10H13NO3 — CID 93471595

IUPAC(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-10(11,5-12)7-2-3-8-9(4-7)14-6-13-8/h2-4,12H,5-6,11H2,1H3/t10-/m1/s1
InChIKeyJHYSLVJRDOARSN-SNVBAGLBSA-N
MW195.22 g/mol
LogP0.58
Rot. Bonds2

About (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol

(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 93471595) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID93471595
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESC[C@@](N)(CO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c1-10(11,5-12)7-2-3-8-9(4-7)14-6-13-8/h2-4,12H,5-6,11H2,1H3/t10-/m1/s1
InChIKeyJHYSLVJRDOARSN-SNVBAGLBSA-N
XLogP0.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
2-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 130017651
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
CID 83837134
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
2-(1,3-benzodioxol-5-yl)-2-(4-chloroanilino)propan-1-ol
CID 61048114
2-amino-1-(1,3-benzodioxol-5-yl)propane-1,1-diol
CID 162733869
2-(1,3-benzodioxol-5-yl)-1-bromo-1,1-difluoropropan-2-ol
CID 107140483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol (CID 93471595) is (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol is C[C@@](N)(CO)c1ccc2c(c1)OCO2.
What is the InChIKey of (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is JHYSLVJRDOARSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11,5-12)7-2-3-8-9(4-7)14-6-13-8/h2-4,12H,5-6,11H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol?
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 195.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 93471595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).