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

C10H13NO3 — CID 28804627

IUPAC(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESN[C@@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,12H,3,5-6,11H2/t8-/m1/s1
InChIKeyCQMVDNRNZQXBAG-MRVPVSSYSA-N
MW195.22 g/mol
LogP0.28
Rot. Bonds3

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

(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 28804627) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID28804627
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
SMILESN[C@@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,12H,3,5-6,11H2/t8-/m1/s1
InChIKeyCQMVDNRNZQXBAG-MRVPVSSYSA-N
XLogP0.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 170893090
(2S)-1-(1,3-benzodioxol-5-yl)butan-2-amine
CID 54579998
(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
CID 10932365
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
2-amino-3-(1,3-benzodioxol-5-yl)propanoyl chloride;hydrochloride
CID 21438828
2-amino-3-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 131351020
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol (CID 28804627) is (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol is N[C@@H](CO)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is CQMVDNRNZQXBAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,12H,3,5-6,11H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol?
(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 195.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 28804627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).