2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid

C13H20N2O5 — CID 126438913

IUPAC2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)C[C@H]2CCCOC2)CC1=O
InChIInChI=1S/C13H20N2O5/c16-11(6-10-2-1-5-20-9-10)14-3-4-15(8-13(18)19)12(17)7-14/h10H,1-9H2,(H,18,19)/t10-/m1/s1
InChIKeyFAZWWRBYOPIQBZ-SNVBAGLBSA-N
MW284.31 g/mol
LogP-0.44
Rot. Bonds4

About 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid

2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid (PubChem CID 126438913) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid
PubChem CID126438913
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)C[C@H]2CCCOC2)CC1=O
InChIInChI=1S/C13H20N2O5/c16-11(6-10-2-1-5-20-9-10)14-3-4-15(8-13(18)19)12(17)7-14/h10H,1-9H2,(H,18,19)/t10-/m1/s1
InChIKeyFAZWWRBYOPIQBZ-SNVBAGLBSA-N
XLogP-0.44
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
2-[(3S)-oxan-3-yl]-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 129402150
2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid
CID 131892779
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110854402
2-[(3R)-oxan-3-yl]-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 125157593
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 119064859
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(oxan-3-yl)ethanone
CID 170507325
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
CID 110855934
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid (CID 126438913) is 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)C[C@H]2CCCOC2)CC1=O.
What is the InChIKey of 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is FAZWWRBYOPIQBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-11(6-10-2-1-5-20-9-10)14-3-4-15(8-13(18)19)12(17)7-14/h10H,1-9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid?
2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3R)-oxan-3-yl]acetyl]-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 126438913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).