2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid

C13H20N2O4 — CID 55105432

IUPAC2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C13H20N2O4/c16-11-3-4-12(17)15(11)7-6-14-5-1-2-10(9-14)8-13(18)19/h10H,1-9H2,(H,18,19)
InChIKeyZUNWCTRFTNFKOG-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.32
Rot. Bonds5

About 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid

2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid (PubChem CID 55105432) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
PubChem CID55105432
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C13H20N2O4/c16-11-3-4-12(17)15(11)7-6-14-5-1-2-10(9-14)8-13(18)19/h10H,1-9H2,(H,18,19)
InChIKeyZUNWCTRFTNFKOG-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370523
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55151751
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]acetic acid
CID 62691306
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidin-3-yl]acetic acid
CID 62690799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid (CID 55105432) is 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CCN2C(=O)CCC2=O)C1.
What is the InChIKey of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid?
The InChIKey is ZUNWCTRFTNFKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11-3-4-12(17)15(11)7-6-14-5-1-2-10(9-14)8-13(18)19/h10H,1-9H2,(H,18,19).
What are the key properties of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 55105432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).