(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C7H8N2O3 — CID 22811975

IUPAC(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=CC[C@@H]12
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12)/t3-,5?/m0/s1
InChIKeyWGOIJCCZQLQYSY-WWLRPLJCSA-N
MW168.15 g/mol
LogP-1.10
Rot. Bonds1

About (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 22811975) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID22811975
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESNC1C(=O)N2C(C(=O)O)=CC[C@@H]12
InChIInChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12)/t3-,5?/m0/s1
InChIKeyWGOIJCCZQLQYSY-WWLRPLJCSA-N
XLogP-1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 22811975) is (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is NC1C(=O)N2C(C(=O)O)=CC[C@@H]12.
What is the InChIKey of (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is WGOIJCCZQLQYSY-WWLRPLJCSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h2-3,5H,1,8H2,(H,11,12)/t3-,5?/m0/s1.
What are the key properties of (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
(5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-amino-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 22811975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).