(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

C15H21NO4 — CID 44585254

IUPAC(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC2CCc3ccccc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO4/c17-8-13-15(19)14(18)12(20-13)7-16-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-19H,5-8H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyLNQWJLZRRCTZFS-XSISWNRUSA-N
MW279.34 g/mol
LogP-0.25
Rot. Bonds4

About (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 44585254) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID44585254
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@H](CNC2CCc3ccccc32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H21NO4/c17-8-13-15(19)14(18)12(20-13)7-16-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-19H,5-8H2/t11?,12-,13-,14-,15-/m1/s1
InChIKeyLNQWJLZRRCTZFS-XSISWNRUSA-N
XLogP-0.25
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 44585254) is (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@H](CNC2CCc3ccccc32)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LNQWJLZRRCTZFS-XSISWNRUSA-N. The full InChI is InChI=1S/C15H21NO4/c17-8-13-15(19)14(18)12(20-13)7-16-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-19H,5-8H2/t11?,12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 279.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 44585254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).