2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid

C15H25NO5 — CID 19074889

IUPAC2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1C(=O)CCN(CC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C15H25NO5/c1-9(14(19)20)13-10(2)16(7-6-11(13)17)8-12(18)21-15(3,4)5/h9-10,13H,6-8H2,1-5H3,(H,19,20)
InChIKeyNKQGHNGJMQZNIY-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid

2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid (PubChem CID 19074889) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid
PubChem CID19074889
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1C(=O)CCN(CC(=O)OC(C)(C)C)C1C
InChIInChI=1S/C15H25NO5/c1-9(14(19)20)13-10(2)16(7-6-11(13)17)8-12(18)21-15(3,4)5/h9-10,13H,6-8H2,1-5H3,(H,19,20)
InChIKeyNKQGHNGJMQZNIY-UHFFFAOYSA-N
XLogP1.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid?
The IUPAC name of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid (CID 19074889) is 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid?
The canonical SMILES for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid is CC(C(=O)O)C1C(=O)CCN(CC(=O)OC(C)(C)C)C1C.
What is the InChIKey of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid?
The InChIKey is NKQGHNGJMQZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-9(14(19)20)13-10(2)16(7-6-11(13)17)8-12(18)21-15(3,4)5/h9-10,13H,6-8H2,1-5H3,(H,19,20).
What are the key properties of 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid?
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid is sourced from PubChem (CID 19074889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).