(3S,6R)-3-amino-6-hydroxypiperidin-2-one

C5H10N2O2 — CID 97302558

IUPAC(3S,6R)-3-amino-6-hydroxypiperidin-2-one
SMILESN[C@H]1CC[C@@H](O)NC1=O
InChIInChI=1S/C5H10N2O2/c6-3-1-2-4(8)7-5(3)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m0/s1
InChIKeyMNZZKKFBIKYMGP-IUYQGCFVSA-N
MW130.15 g/mol
LogP-1.46
Rot. Bonds

About (3S,6R)-3-amino-6-hydroxypiperidin-2-one

(3S,6R)-3-amino-6-hydroxypiperidin-2-one (PubChem CID 97302558) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S,6R)-3-amino-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S,6R)-3-amino-6-hydroxypiperidin-2-one
PubChem CID97302558
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S,6R)-3-amino-6-hydroxypiperidin-2-one
SMILESN[C@H]1CC[C@@H](O)NC1=O
InChIInChI=1S/C5H10N2O2/c6-3-1-2-4(8)7-5(3)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m0/s1
InChIKeyMNZZKKFBIKYMGP-IUYQGCFVSA-N
XLogP-1.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-amino-6-hydroxypiperidin-2-one?
The IUPAC name of (3S,6R)-3-amino-6-hydroxypiperidin-2-one (CID 97302558) is (3S,6R)-3-amino-6-hydroxypiperidin-2-one.
What is the SMILES notation for (3S,6R)-3-amino-6-hydroxypiperidin-2-one?
The canonical SMILES for (3S,6R)-3-amino-6-hydroxypiperidin-2-one is N[C@H]1CC[C@@H](O)NC1=O.
What is the InChIKey of (3S,6R)-3-amino-6-hydroxypiperidin-2-one?
The InChIKey is MNZZKKFBIKYMGP-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-3-1-2-4(8)7-5(3)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m0/s1.
What are the key properties of (3S,6R)-3-amino-6-hydroxypiperidin-2-one?
(3S,6R)-3-amino-6-hydroxypiperidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-amino-6-hydroxypiperidin-2-one is sourced from PubChem (CID 97302558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).