sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

C7H8NNaO3 — CID 23693817

IUPACsodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+]
InChIInChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1
InChIKeyQUSUNINJKBHEKM-TYSVMGFPSA-M
MW177.13 g/mol
LogP-4.50
Rot. Bonds1

About sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate (PubChem CID 23693817) has the molecular formula C7H8NNaO3 and a molecular weight of 177.13 g/mol. Its IUPAC name is sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Molecular Properties

Compound Namesodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
PubChem CID23693817
Molecular FormulaC7H8NNaO3
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Namesodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILESO=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+]
InChIInChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1
InChIKeyQUSUNINJKBHEKM-TYSVMGFPSA-M
XLogP-4.50
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-4.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11240720
methyl 5,7-dioxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
CID 162681171
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
disodium;(2S,5R)-7-oxo-6-sulfonatooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
CID 163202986
ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
CID 11735742
2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
CID 115013531
(5S)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 18647077
(2R,6S)-4,8-dioxo-1,3-diazabicyclo[4.2.0]octane-2-carboxylic acid
CID 131080707
sodium 3,3-dimethyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23699398
2-methoxycarbonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 66620869
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
CID 172779774
CID 172779774

Frequently Asked Questions

What is the IUPAC name of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The IUPAC name of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate (CID 23693817) is sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate.
What is the SMILES notation for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The canonical SMILES for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate is O=C([O-])[C@H]1CC[C@@H]2CC(=O)N21.[Na+].
What is the InChIKey of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
The InChIKey is QUSUNINJKBHEKM-TYSVMGFPSA-M. The full InChI is InChI=1S/C7H9NO3.Na/c9-6-3-4-1-2-5(7(10)11)8(4)6;/h4-5H,1-3H2,(H,10,11);/q;+1/p-1/t4-,5-;/m1./s1.
What are the key properties of sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate?
sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate has a molecular weight of 177.13 g/mol, XLogP of -4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate is sourced from PubChem (CID 23693817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).