(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid

C8H11N3O5 — CID 102429117

IUPAC(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid
SMILESN[C@H](C(=O)O)C1CC(n2oc(=O)[nH]c2=O)C1
InChIInChI=1S/C8H11N3O5/c9-5(6(12)13)3-1-4(2-3)11-7(14)10-8(15)16-11/h3-5H,1-2,9H2,(H,12,13)(H,10,14,15)/t3?,4?,5-/m0/s1
InChIKeyRAXOCPQXTORKPQ-YCXLAJEKSA-N
MW229.19 g/mol
LogP-1.51
Rot. Bonds3

About (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid

(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid (PubChem CID 102429117) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid
PubChem CID102429117
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid
SMILESN[C@H](C(=O)O)C1CC(n2oc(=O)[nH]c2=O)C1
InChIInChI=1S/C8H11N3O5/c9-5(6(12)13)3-1-4(2-3)11-7(14)10-8(15)16-11/h3-5H,1-2,9H2,(H,12,13)(H,10,14,15)/t3?,4?,5-/m0/s1
InChIKeyRAXOCPQXTORKPQ-YCXLAJEKSA-N
XLogP-1.51
TPSA131.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid (CID 102429117) is (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid is N[C@H](C(=O)O)C1CC(n2oc(=O)[nH]c2=O)C1.
What is the InChIKey of (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid?
The InChIKey is RAXOCPQXTORKPQ-YCXLAJEKSA-N. The full InChI is InChI=1S/C8H11N3O5/c9-5(6(12)13)3-1-4(2-3)11-7(14)10-8(15)16-11/h3-5H,1-2,9H2,(H,12,13)(H,10,14,15)/t3?,4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid?
(2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid has a molecular weight of 229.19 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)cyclobutyl]acetic acid is sourced from PubChem (CID 102429117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).