(3S,5R)-3-amino-5-hydroxypiperidin-2-one

C5H10N2O2 — CID 15030789

IUPAC(3S,5R)-3-amino-5-hydroxypiperidin-2-one
SMILESN[C@H]1C[C@@H](O)CNC1=O
InChIInChI=1S/C5H10N2O2/c6-4-1-3(8)2-7-5(4)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m1/s1
InChIKeyTTXNGYHAVHQESZ-DMTCNVIQSA-N
MW130.15 g/mol
LogP-1.81
Rot. Bonds

About (3S,5R)-3-amino-5-hydroxypiperidin-2-one

(3S,5R)-3-amino-5-hydroxypiperidin-2-one (PubChem CID 15030789) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S,5R)-3-amino-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-amino-5-hydroxypiperidin-2-one
PubChem CID15030789
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S,5R)-3-amino-5-hydroxypiperidin-2-one
SMILESN[C@H]1C[C@@H](O)CNC1=O
InChIInChI=1S/C5H10N2O2/c6-4-1-3(8)2-7-5(4)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m1/s1
InChIKeyTTXNGYHAVHQESZ-DMTCNVIQSA-N
XLogP-1.81
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 ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-5-hydroxypiperidin-2-one?
The IUPAC name of (3S,5R)-3-amino-5-hydroxypiperidin-2-one (CID 15030789) is (3S,5R)-3-amino-5-hydroxypiperidin-2-one.
What is the SMILES notation for (3S,5R)-3-amino-5-hydroxypiperidin-2-one?
The canonical SMILES for (3S,5R)-3-amino-5-hydroxypiperidin-2-one is N[C@H]1C[C@@H](O)CNC1=O.
What is the InChIKey of (3S,5R)-3-amino-5-hydroxypiperidin-2-one?
The InChIKey is TTXNGYHAVHQESZ-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O2/c6-4-1-3(8)2-7-5(4)9/h3-4,8H,1-2,6H2,(H,7,9)/t3-,4+/m1/s1.
What are the key properties of (3S,5R)-3-amino-5-hydroxypiperidin-2-one?
(3S,5R)-3-amino-5-hydroxypiperidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-5-hydroxypiperidin-2-one is sourced from PubChem (CID 15030789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).