(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol

C8H19NO2 — CID 167005628

IUPAC(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
SMILESC[C@H](OC[C@@H](C)N)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-6(9)5-11-7(2)8(3,4)10/h6-7,10H,5,9H2,1-4H3/t6-,7+/m1/s1
InChIKeyVCPRXBZNUNBITH-RQJHMYQMSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds4

About (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol

(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol (PubChem CID 167005628) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
PubChem CID167005628
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol
SMILESC[C@H](OC[C@@H](C)N)C(C)(C)O
InChIInChI=1S/C8H19NO2/c1-6(9)5-11-7(2)8(3,4)10/h6-7,10H,5,9H2,1-4H3/t6-,7+/m1/s1
InChIKeyVCPRXBZNUNBITH-RQJHMYQMSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol?
The IUPAC name of (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol (CID 167005628) is (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol.
What is the SMILES notation for (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol?
The canonical SMILES for (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol is C[C@H](OC[C@@H](C)N)C(C)(C)O.
What is the InChIKey of (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol?
The InChIKey is VCPRXBZNUNBITH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(9)5-11-7(2)8(3,4)10/h6-7,10H,5,9H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol?
(3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-2-aminopropoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 167005628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).