2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid

C5H7ClN2O4 — CID 162883051

IUPAC2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid
SMILESNC(C(=O)O)C1CC(Cl)=[N+]([O-])O1
InChIInChI=1S/C5H7ClN2O4/c6-3-1-2(12-8(3)11)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)
InChIKeyJSFQABXWCIUZGF-UHFFFAOYSA-N
MW194.57 g/mol
LogP-0.75
Rot. Bonds2

About 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid

2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid (PubChem CID 162883051) has the molecular formula C5H7ClN2O4 and a molecular weight of 194.57 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid
PubChem CID162883051
Molecular FormulaC5H7ClN2O4
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid
SMILESNC(C(=O)O)C1CC(Cl)=[N+]([O-])O1
InChIInChI=1S/C5H7ClN2O4/c6-3-1-2(12-8(3)11)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)
InChIKeyJSFQABXWCIUZGF-UHFFFAOYSA-N
XLogP-0.75
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid (CID 162883051) is 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid is NC(C(=O)O)C1CC(Cl)=[N+]([O-])O1.
What is the InChIKey of 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid?
The InChIKey is JSFQABXWCIUZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O4/c6-3-1-2(12-8(3)11)4(7)5(9)10/h2,4H,1,7H2,(H,9,10).
What are the key properties of 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid?
2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid has a molecular weight of 194.57 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-yl)acetic acid is sourced from PubChem (CID 162883051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).