(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol

C9H19NO2 — CID 97358229

IUPAC(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
SMILESC[C@@H]1OCC[C@@H]1NCC[C@@H](C)O
InChIInChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyXGSHVWLMUBFNBR-VGMNWLOBSA-N
MW173.26 g/mol
LogP0.52
Rot. Bonds4

About (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol

(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol (PubChem CID 97358229) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
PubChem CID97358229
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
SMILESC[C@@H]1OCC[C@@H]1NCC[C@@H](C)O
InChIInChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyXGSHVWLMUBFNBR-VGMNWLOBSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol (CID 97358229) is (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol is C[C@@H]1OCC[C@@H]1NCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol?
The InChIKey is XGSHVWLMUBFNBR-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)3-5-10-9-4-6-12-8(9)2/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol?
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol is sourced from PubChem (CID 97358229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).