2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid

C11H16N2O4 — CID 83192170

IUPAC2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C11H16N2O4/c14-9-4-8(5-12-9)11(17)13-2-1-7(6-13)3-10(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16)
InChIKeyXJQNIQRDVZWJIE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.55
Rot. Bonds3

About 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83192170) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID83192170
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C11H16N2O4/c14-9-4-8(5-12-9)11(17)13-2-1-7(6-13)3-10(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16)
InChIKeyXJQNIQRDVZWJIE-UHFFFAOYSA-N
XLogP-0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83193168
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79605703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid (CID 83192170) is 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CNC(=O)C2)C1.
What is the InChIKey of 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is XJQNIQRDVZWJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-4-8(5-12-9)11(17)13-2-1-7(6-13)3-10(15)16/h7-8H,1-6H2,(H,12,14)(H,15,16).
What are the key properties of 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83192170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).