6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid

C10H15N3O3S — CID 23458747

IUPAC6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid
SMILESNC1C(=O)N2C1SC1(CCNCC1)C2C(=O)O
InChIInChI=1S/C10H15N3O3S/c11-5-7(14)13-6(9(15)16)10(17-8(5)13)1-3-12-4-2-10/h5-6,8,12H,1-4,11H2,(H,15,16)
InChIKeyTUGMXDRLZOWWNL-UHFFFAOYSA-N
MW257.31 g/mol
LogP-1.20
Rot. Bonds1

About 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid

6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid (PubChem CID 23458747) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid
PubChem CID23458747
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid
SMILESNC1C(=O)N2C1SC1(CCNCC1)C2C(=O)O
InChIInChI=1S/C10H15N3O3S/c11-5-7(14)13-6(9(15)16)10(17-8(5)13)1-3-12-4-2-10/h5-6,8,12H,1-4,11H2,(H,15,16)
InChIKeyTUGMXDRLZOWWNL-UHFFFAOYSA-N
XLogP-1.20
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid?
The IUPAC name of 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid (CID 23458747) is 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid.
What is the SMILES notation for 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid?
The canonical SMILES for 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid is NC1C(=O)N2C1SC1(CCNCC1)C2C(=O)O.
What is the InChIKey of 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid?
The InChIKey is TUGMXDRLZOWWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-5-7(14)13-6(9(15)16)10(17-8(5)13)1-3-12-4-2-10/h5-6,8,12H,1-4,11H2,(H,15,16).
What are the key properties of 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid?
6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-oxospiro[4-thia-1-azabicyclo[3.2.0]heptane-3,4'-piperidine]-2-carboxylic acid is sourced from PubChem (CID 23458747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).