(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol

C13H27NO4 — CID 54121155

IUPAC(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
SMILESCCC(C)O[C@@H]1O[C@@H](CNCC(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H27NO4/c1-5-9(4)17-13-12(16)11(15)10(18-13)7-14-6-8(2)3/h8-16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+/m0/s1
InChIKeyNNUBRRQCYLKHIQ-ONQCXXIWSA-N
MW261.36 g/mol
LogP0.49
Rot. Bonds7

About (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol

(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol (PubChem CID 54121155) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
PubChem CID54121155
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol
SMILESCCC(C)O[C@@H]1O[C@@H](CNCC(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H27NO4/c1-5-9(4)17-13-12(16)11(15)10(18-13)7-14-6-8(2)3/h8-16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+/m0/s1
InChIKeyNNUBRRQCYLKHIQ-ONQCXXIWSA-N
XLogP0.49
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]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

Related Compounds

(2R,4S,5R)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163679264
(2R,3R,5S)-2-butan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163580885
(2S,3S,4S,5R,6R)-6-[(2-methylpropylamino)methyl]oxane-2,3,4,5-tetrol
CID 56634119
(3S,4S)-2-(hydroxymethyl)-6-(1-hydroxypropan-2-yloxy)oxane-3,4,5-triol
CID 163764243
(3R,4S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163904294
(3S,5S,6R)-6-butan-2-yloxy-3,4,5-trihydroxyoxane-2-carboxamide
CID 163647847
2-[[3,4-dihydroxy-5-[(2S,3S)-3-methylpentan-2-yl]oxyoxolan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162704967
(5S)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70889384
(3R,4S,5S,6R)-2-decan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 54138308
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-nonan-2-yloxyoxane-3,4,5-triol
CID 20813434
(2R,3S,4S,5R,6R)-2-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]oxan-2-yl]oxyoxane-3,4,5-triol
CID 101040441
(3R,4S,5S,6R)-2-[1-(dimethylamino)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18605016

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol (CID 54121155) is (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol is CCC(C)O[C@@H]1O[C@@H](CNCC(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol?
The InChIKey is NNUBRRQCYLKHIQ-ONQCXXIWSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-9(4)17-13-12(16)11(15)10(18-13)7-14-6-8(2)3/h8-16H,5-7H2,1-4H3/t9?,10-,11+,12+,13+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol?
(2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol has a molecular weight of 261.36 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-butan-2-yloxy-5-[(2-methylpropylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 54121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).