(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

C7H9NO3 — CID 124707464

IUPAC(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESO=C1C[C@@H]2CN[C@@H](C(=O)O)[C@@H]12
InChIInChI=1S/C7H9NO3/c9-4-1-3-2-8-6(5(3)4)7(10)11/h3,5-6,8H,1-2H2,(H,10,11)/t3-,5-,6-/m1/s1
InChIKeyZBLSJCPBZMQWSU-UYFOZJQFSA-N
MW155.15 g/mol
LogP-0.75
Rot. Bonds1

About (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 124707464) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID124707464
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESO=C1C[C@@H]2CN[C@@H](C(=O)O)[C@@H]12
InChIInChI=1S/C7H9NO3/c9-4-1-3-2-8-6(5(3)4)7(10)11/h3,5-6,8H,1-2H2,(H,10,11)/t3-,5-,6-/m1/s1
InChIKeyZBLSJCPBZMQWSU-UYFOZJQFSA-N
XLogP-0.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 124707464) is (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is O=C1C[C@@H]2CN[C@@H](C(=O)O)[C@@H]12.
What is the InChIKey of (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is ZBLSJCPBZMQWSU-UYFOZJQFSA-N. The full InChI is InChI=1S/C7H9NO3/c9-4-1-3-2-8-6(5(3)4)7(10)11/h3,5-6,8H,1-2H2,(H,10,11)/t3-,5-,6-/m1/s1.
What are the key properties of (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 124707464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).