1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C10H14N2O4 — CID 81456758

IUPAC1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(C(=O)O)C2)CN1
InChIInChI=1S/C10H14N2O4/c13-8-3-7(4-11-8)9(14)12-2-1-6(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
InChIKeyPNJWZKPRPGKMNH-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.94
Rot. Bonds2

About 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 81456758) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID81456758
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C1CC(C(=O)N2CCC(C(=O)O)C2)CN1
InChIInChI=1S/C10H14N2O4/c13-8-3-7(4-11-8)9(14)12-2-1-6(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16)
InChIKeyPNJWZKPRPGKMNH-UHFFFAOYSA-N
XLogP-0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic 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

(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
4-(5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 81450416
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
CID 79079586
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 81456758) is 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C1CC(C(=O)N2CCC(C(=O)O)C2)CN1.
What is the InChIKey of 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PNJWZKPRPGKMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8-3-7(4-11-8)9(14)12-2-1-6(5-12)10(15)16/h6-7H,1-5H2,(H,11,13)(H,15,16).
What are the key properties of 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81456758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).