2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid

C12H20N2O4 — CID 107530362

IUPAC2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC2CCC(=O)N2)CC1
InChIInChI=1S/C12H20N2O4/c15-11-2-1-9(13-11)7-14-5-3-10(4-6-14)18-8-12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyOVEBYXHWWOJZQW-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.17
Rot. Bonds5

About 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid

2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 107530362) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID107530362
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC2CCC(=O)N2)CC1
InChIInChI=1S/C12H20N2O4/c15-11-2-1-9(13-11)7-14-5-3-10(4-6-14)18-8-12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17)
InChIKeyOVEBYXHWWOJZQW-UHFFFAOYSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 103668847
(5S)-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67158038
1-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 107530315
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107044942
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
(5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrrolidin-2-one
CID 67157820
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
2-[1-(acetyloxymethyl)piperidin-4-yl]oxyacetic acid
CID 152664837
2-(1-heptylpiperidin-4-yl)oxyacetic acid
CID 63905083
2-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxyacetic acid
CID 63905111
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid (CID 107530362) is 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC2CCC(=O)N2)CC1.
What is the InChIKey of 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is OVEBYXHWWOJZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11-2-1-9(13-11)7-14-5-3-10(4-6-14)18-8-12(16)17/h9-10H,1-8H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 107530362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).