(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol

C10H21NO3 — CID 167158778

IUPAC(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol
SMILESC[C@@H](O)[C@@H](N)[C@@H](C)O[C@H]1CCCCO1
InChIInChI=1S/C10H21NO3/c1-7(12)10(11)8(2)14-9-5-3-4-6-13-9/h7-10,12H,3-6,11H2,1-2H3/t7-,8-,9+,10-/m1/s1
InChIKeyFROFLHCTZMSSQI-DOLQZWNJSA-N
MW203.28 g/mol
LogP0.63
Rot. Bonds4

About (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol

(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol (PubChem CID 167158778) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol
PubChem CID167158778
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol
SMILESC[C@@H](O)[C@@H](N)[C@@H](C)O[C@H]1CCCCO1
InChIInChI=1S/C10H21NO3/c1-7(12)10(11)8(2)14-9-5-3-4-6-13-9/h7-10,12H,3-6,11H2,1-2H3/t7-,8-,9+,10-/m1/s1
InChIKeyFROFLHCTZMSSQI-DOLQZWNJSA-N
XLogP0.63
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
2-(oxan-2-yloxy)propanoic acid
CID 542280
(3S)-2-(2,2-difluoroethylamino)-3-(oxan-2-yloxy)butan-1-ol
CID 169181575
2-butan-2-yloxyoxane
CID 559028
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
(E,2R,3S)-3,6-bis(oxan-2-yloxy)hex-4-en-2-ol
CID 10913620
[(2R,3S)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 90284220

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol?
The IUPAC name of (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol (CID 167158778) is (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol?
The canonical SMILES for (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol is C[C@@H](O)[C@@H](N)[C@@H](C)O[C@H]1CCCCO1.
What is the InChIKey of (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol?
The InChIKey is FROFLHCTZMSSQI-DOLQZWNJSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(12)10(11)8(2)14-9-5-3-4-6-13-9/h7-10,12H,3-6,11H2,1-2H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol?
(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol is sourced from PubChem (CID 167158778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).