(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid

C12H22N2O5 — CID 101073962

IUPAC(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid
SMILESCC[C@](C)(C(=O)O)N1COCN1[C@](C)(CC)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-11(3,9(15)16)13-7-19-8-14(13)12(4,6-2)10(17)18/h5-8H2,1-4H3,(H,15,16)(H,17,18)/t11-,12-/m1/s1
InChIKeyOGAWHSWUEUBAAF-VXGBXAGGSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds6

About (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid

(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid (PubChem CID 101073962) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid
PubChem CID101073962
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid
SMILESCC[C@](C)(C(=O)O)N1COCN1[C@](C)(CC)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-11(3,9(15)16)13-7-19-8-14(13)12(4,6-2)10(17)18/h5-8H2,1-4H3,(H,15,16)(H,17,18)/t11-,12-/m1/s1
InChIKeyOGAWHSWUEUBAAF-VXGBXAGGSA-N
XLogP0.96
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid?
The IUPAC name of (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid (CID 101073962) is (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid?
The canonical SMILES for (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid is CC[C@](C)(C(=O)O)N1COCN1[C@](C)(CC)C(=O)O.
What is the InChIKey of (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid?
The InChIKey is OGAWHSWUEUBAAF-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-11(3,9(15)16)13-7-19-8-14(13)12(4,6-2)10(17)18/h5-8H2,1-4H3,(H,15,16)(H,17,18)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid?
(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid is sourced from PubChem (CID 101073962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).