(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol

C15H24N2O4 — CID 157489352

IUPAC(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](CO)Cc1ccoc1.N[C@@H](CO)Cc1ccoc1
InChIInChI=1S/C8H13NO2.C7H11NO2/c1-9-8(5-10)4-7-2-3-11-6-7;8-7(4-9)3-6-1-2-10-5-6/h2-3,6,8-10H,4-5H2,1H3;1-2,5,7,9H,3-4,8H2/t8-;7-/m11/s1
InChIKeyBXBYDOPZASODBE-CPVNYBHJSA-N
MW296.37 g/mol
LogP0.54
Rot. Bonds7

About (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol

(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol (PubChem CID 157489352) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol
PubChem CID157489352
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol
SMILESCN[C@@H](CO)Cc1ccoc1.N[C@@H](CO)Cc1ccoc1
InChIInChI=1S/C8H13NO2.C7H11NO2/c1-9-8(5-10)4-7-2-3-11-6-7;8-7(4-9)3-6-1-2-10-5-6/h2-3,6,8-10H,4-5H2,1H3;1-2,5,7,9H,3-4,8H2/t8-;7-/m11/s1
InChIKeyBXBYDOPZASODBE-CPVNYBHJSA-N
XLogP0.54
TPSA104.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol (CID 157489352) is (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol is CN[C@@H](CO)Cc1ccoc1.N[C@@H](CO)Cc1ccoc1.
What is the InChIKey of (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol?
The InChIKey is BXBYDOPZASODBE-CPVNYBHJSA-N. The full InChI is InChI=1S/C8H13NO2.C7H11NO2/c1-9-8(5-10)4-7-2-3-11-6-7;8-7(4-9)3-6-1-2-10-5-6/h2-3,6,8-10H,4-5H2,1H3;1-2,5,7,9H,3-4,8H2/t8-;7-/m11/s1.
What are the key properties of (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol?
(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 157489352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).