(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione

C7H9NO3 — CID 155249702

IUPAC(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione
SMILESO=C1C[C@@H]2[C@@H](CO)C(=O)N2C1
InChIInChI=1S/C7H9NO3/c9-3-5-6-1-4(10)2-8(6)7(5)11/h5-6,9H,1-3H2/t5-,6-/m1/s1
InChIKeyQYRNUPVVFHARSR-PHDIDXHHSA-N
MW155.15 g/mol
LogP-1.22
Rot. Bonds1

About (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione

(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 155249702) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID155249702
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione
SMILESO=C1C[C@@H]2[C@@H](CO)C(=O)N2C1
InChIInChI=1S/C7H9NO3/c9-3-5-6-1-4(10)2-8(6)7(5)11/h5-6,9H,1-3H2/t5-,6-/m1/s1
InChIKeyQYRNUPVVFHARSR-PHDIDXHHSA-N
XLogP-1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione (CID 155249702) is (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione is O=C1C[C@@H]2[C@@H](CO)C(=O)N2C1.
What is the InChIKey of (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is QYRNUPVVFHARSR-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H9NO3/c9-3-5-6-1-4(10)2-8(6)7(5)11/h5-6,9H,1-3H2/t5-,6-/m1/s1.
What are the key properties of (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione?
(5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 155.15 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(hydroxymethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 155249702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).