(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one

C9H18N2O2 — CID 59102635

IUPAC(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one
SMILESC[C@@H](N)[C@@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-7(10)8(12)9(13)11-5-3-2-4-6-11/h7-8,12H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyZEHOKYBGMJJALX-HTQZYQBOSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds2

About (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one

(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one (PubChem CID 59102635) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one
PubChem CID59102635
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one
SMILESC[C@@H](N)[C@@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C9H18N2O2/c1-7(10)8(12)9(13)11-5-3-2-4-6-11/h7-8,12H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyZEHOKYBGMJJALX-HTQZYQBOSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one (CID 59102635) is (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one is C[C@@H](N)[C@@H](O)C(=O)N1CCCCC1.
What is the InChIKey of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one?
The InChIKey is ZEHOKYBGMJJALX-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10)8(12)9(13)11-5-3-2-4-6-11/h7-8,12H,2-6,10H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one?
(2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-hydroxy-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 59102635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).