2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid

C12H18N2O4 — CID 83192169

IUPAC2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C12H18N2O4/c15-10-2-1-9(6-13-10)12(18)14-4-3-8(7-14)5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyATYSUPWVGDVCAS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds3

About 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 83192169) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID83192169
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C12H18N2O4/c15-10-2-1-9(6-13-10)12(18)14-4-3-8(7-14)5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17)
InChIKeyATYSUPWVGDVCAS-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
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
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
CID 81483173
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
CID 78968223
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285
2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79605703
2-amino-N-methyl-N-[[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 166384282
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid (CID 83192169) is 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CCC(=O)NC2)C1.
What is the InChIKey of 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is ATYSUPWVGDVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-2-1-9(6-13-10)12(18)14-4-3-8(7-14)5-11(16)17/h8-9H,1-7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 83192169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).