(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid

C11H14N2O5 — CID 87991310

IUPAC(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid
SMILESCN(C)C(=O)c1coc([C@H](CC=O)CC(=O)O)n1
InChIInChI=1S/C11H14N2O5/c1-13(2)11(17)8-6-18-10(12-8)7(3-4-14)5-9(15)16/h4,6-7H,3,5H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyZVLDXWDXWIYULI-SSDOTTSWSA-N
MW254.24 g/mol
LogP0.52
Rot. Bonds6

About (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid

(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid (PubChem CID 87991310) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid
PubChem CID87991310
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid
SMILESCN(C)C(=O)c1coc([C@H](CC=O)CC(=O)O)n1
InChIInChI=1S/C11H14N2O5/c1-13(2)11(17)8-6-18-10(12-8)7(3-4-14)5-9(15)16/h4,6-7H,3,5H2,1-2H3,(H,15,16)/t7-/m1/s1
InChIKeyZVLDXWDXWIYULI-SSDOTTSWSA-N
XLogP0.52
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid?
The IUPAC name of (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid (CID 87991310) is (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid is CN(C)C(=O)c1coc([C@H](CC=O)CC(=O)O)n1.
What is the InChIKey of (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid?
The InChIKey is ZVLDXWDXWIYULI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-13(2)11(17)8-6-18-10(12-8)7(3-4-14)5-9(15)16/h4,6-7H,3,5H2,1-2H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid?
(3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid has a molecular weight of 254.24 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 87991310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).