(3S,5R)-5-hydroxydiazinane-3-carboxylic acid

C5H10N2O3 — CID 92557182

IUPAC(3S,5R)-5-hydroxydiazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CNN1
InChIInChI=1S/C5H10N2O3/c8-3-1-4(5(9)10)7-6-2-3/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyNRUKNRPYMNPMRU-DMTCNVIQSA-N
MW146.15 g/mol
LogP-1.70
Rot. Bonds1

About (3S,5R)-5-hydroxydiazinane-3-carboxylic acid

(3S,5R)-5-hydroxydiazinane-3-carboxylic acid (PubChem CID 92557182) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (3S,5R)-5-hydroxydiazinane-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-hydroxydiazinane-3-carboxylic acid
PubChem CID92557182
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(3S,5R)-5-hydroxydiazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CNN1
InChIInChI=1S/C5H10N2O3/c8-3-1-4(5(9)10)7-6-2-3/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyNRUKNRPYMNPMRU-DMTCNVIQSA-N
XLogP-1.70
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3S,5R)-5-hydroxydiazinane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-hydroxydiazinane-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-hydroxydiazinane-3-carboxylic acid (CID 92557182) is (3S,5R)-5-hydroxydiazinane-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-hydroxydiazinane-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-hydroxydiazinane-3-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CNN1.
What is the InChIKey of (3S,5R)-5-hydroxydiazinane-3-carboxylic acid?
The InChIKey is NRUKNRPYMNPMRU-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O3/c8-3-1-4(5(9)10)7-6-2-3/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (3S,5R)-5-hydroxydiazinane-3-carboxylic acid?
(3S,5R)-5-hydroxydiazinane-3-carboxylic acid has a molecular weight of 146.15 g/mol, XLogP of -1.70, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-hydroxydiazinane-3-carboxylic acid is sourced from PubChem (CID 92557182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).