(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol

C8H19NO2 — CID 29000869

IUPAC(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCC(C)(C)OC[C@@H](O)CN
InChIInChI=1S/C8H19NO2/c1-4-8(2,3)11-6-7(10)5-9/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyJYDQNMYAZQVSAU-ZETCQYMHSA-N
MW161.24 g/mol
LogP0.51
Rot. Bonds5

About (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol

(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol (PubChem CID 29000869) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol
PubChem CID29000869
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol
SMILESCCC(C)(C)OC[C@@H](O)CN
InChIInChI=1S/C8H19NO2/c1-4-8(2,3)11-6-7(10)5-9/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyJYDQNMYAZQVSAU-ZETCQYMHSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol (CID 29000869) is (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol is CCC(C)(C)OC[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol?
The InChIKey is JYDQNMYAZQVSAU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-8(2,3)11-6-7(10)5-9/h7,10H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol?
(2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol has a molecular weight of 161.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(2-methylbutan-2-yloxy)propan-2-ol is sourced from PubChem (CID 29000869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).