(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol

C15H22N2O3 — CID 70826390

IUPAC(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12,15,18H,1-2,5-8,10,16H2/t12-,15?/m1/s1
InChIKeyMPRDYMIZJFVAAH-KEKZHRQWSA-N
MW278.35 g/mol
LogP0.91
Rot. Bonds4

About (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol

(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70826390) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID70826390
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESN[C@H](CN1CCCC1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12,15,18H,1-2,5-8,10,16H2/t12-,15?/m1/s1
InChIKeyMPRDYMIZJFVAAH-KEKZHRQWSA-N
XLogP0.91
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757
(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,2,3,3,4,4,5,5-octadeuteriopyrrolidin-1-yl)propan-1-ol
CID 118916424
(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
CID 134288494
[(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropoxy]-pyridin-3-ylmethanol
CID 153357476
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-pyrrolidin-1-ylpropan-1-ol
CID 164791358
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 122470624
(2R,3S)-3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyridin-3-yl-4-pyrrolidin-1-ylbutan-1-one
CID 153357504
2-(benzylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;ethane;methanol
CID 145298385
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylamino)butan-1-ol
CID 83922120
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol (CID 70826390) is (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol is N[C@H](CN1CCCC1)C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is MPRDYMIZJFVAAH-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13/h3-4,9,12,15,18H,1-2,5-8,10,16H2/t12-,15?/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol?
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 278.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70826390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).