2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C14H21N3O4 — CID 102890201

IUPAC2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-8-12(18)15-5-6-16(8)14(21)17-7-9-3-2-4-10(9)11(17)13(19)20/h8-11H,2-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyBJVUOBYZJGAKJF-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.11
Rot. Bonds1

About 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102890201) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102890201
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-8-12(18)15-5-6-16(8)14(21)17-7-9-3-2-4-10(9)11(17)13(19)20/h8-11H,2-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyBJVUOBYZJGAKJF-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-(3,5-dioxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890415
2-(azocane-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889873
2-(4-methylazepane-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890210
4-acetyl-3-methylpiperazin-2-one
CID 13190467
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102961922
2-(4-ethylpiperidine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895675
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
CID 63608116
2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889976
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102890201) is 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CC1C(=O)NCCN1C(=O)N1CC2CCCC2C1C(=O)O.
What is the InChIKey of 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is BJVUOBYZJGAKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-12(18)15-5-6-16(8)14(21)17-7-9-3-2-4-10(9)11(17)13(19)20/h8-11H,2-7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102890201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).