4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid

C14H24N2O5 — CID 22122289

IUPAC4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)10-15-7-8-16(11(17)9-15)6-4-5-12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeySHLTWTWUPRIRJR-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.34
Rot. Bonds6

About 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid

4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid (PubChem CID 22122289) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid
PubChem CID22122289
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Name4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)10-15-7-8-16(11(17)9-15)6-4-5-12(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeySHLTWTWUPRIRJR-UHFFFAOYSA-N
XLogP0.34
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid (CID 22122289) is 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid is CC(C)(C)OC(=O)CN1CCN(CCCC(=O)O)C(=O)C1.
What is the InChIKey of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid?
The InChIKey is SHLTWTWUPRIRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(20)10-15-7-8-16(11(17)9-15)6-4-5-12(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid?
4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid has a molecular weight of 300.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]butanoic acid is sourced from PubChem (CID 22122289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).