5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid

C11H13NO7 — CID 67036142

IUPAC5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid
SMILESO=C(O)CCCC=C1O[C@@H]2CC(=O)N2C1OC(=O)O
InChIInChI=1S/C11H13NO7/c13-7-5-8-12(7)10(19-11(16)17)6(18-8)3-1-2-4-9(14)15/h3,8,10H,1-2,4-5H2,(H,14,15)(H,16,17)/t8-,10?/m1/s1
InChIKeyNZTGVBABGQWHAN-HNHGDDPOSA-N
MW271.22 g/mol
LogP0.73
Rot. Bonds5

About 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid

5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid (PubChem CID 67036142) has the molecular formula C11H13NO7 and a molecular weight of 271.22 g/mol. Its IUPAC name is 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid.

Molecular Properties

Compound Name5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid
PubChem CID67036142
Molecular FormulaC11H13NO7
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid
SMILESO=C(O)CCCC=C1O[C@@H]2CC(=O)N2C1OC(=O)O
InChIInChI=1S/C11H13NO7/c13-7-5-8-12(7)10(19-11(16)17)6(18-8)3-1-2-4-9(14)15/h3,8,10H,1-2,4-5H2,(H,14,15)(H,16,17)/t8-,10?/m1/s1
InChIKeyNZTGVBABGQWHAN-HNHGDDPOSA-N
XLogP0.73
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid?
The IUPAC name of 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid (CID 67036142) is 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid.
What is the SMILES notation for 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid?
The canonical SMILES for 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid is O=C(O)CCCC=C1O[C@@H]2CC(=O)N2C1OC(=O)O.
What is the InChIKey of 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid?
The InChIKey is NZTGVBABGQWHAN-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H13NO7/c13-7-5-8-12(7)10(19-11(16)17)6(18-8)3-1-2-4-9(14)15/h3,8,10H,1-2,4-5H2,(H,14,15)(H,16,17)/t8-,10?/m1/s1.
What are the key properties of 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid?
5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid has a molecular weight of 271.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-2-carboxyoxy-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-ylidene]pentanoic acid is sourced from PubChem (CID 67036142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).