2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid

C15H23N3O3 — CID 79321939

IUPAC2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
SMILESCC(C)(C)N1CCN(C(=O)c2cccn2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-9-7-16(8-10-18)14(21)12-5-4-6-17(12)11-13(19)20/h4-6H,7-11H2,1-3H3,(H,19,20)
InChIKeyIJRYCTSJHNZEKM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds3

About 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid

2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid (PubChem CID 79321939) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
PubChem CID79321939
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
SMILESCC(C)(C)N1CCN(C(=O)c2cccn2CC(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-9-7-16(8-10-18)14(21)12-5-4-6-17(12)11-13(19)20/h4-6H,7-11H2,1-3H3,(H,19,20)
InChIKeyIJRYCTSJHNZEKM-UHFFFAOYSA-N
XLogP1.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-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-[2-(4-methylsulfonylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322489
2-[2-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 79322304
2-[2-(4-propylazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79322507
2-[2-(3-hydroxypyrrolidine-1-carbonyl)pyrrol-1-yl]acetic acid
CID 79331961
2-[2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
CID 102745112
2-[2-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyrrol-1-yl]acetic acid
CID 102891658
2-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 112627156
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)pyrrol-1-yl]acetic acid
CID 79321915
3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43638916
2-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrol-1-yl]acetic acid
CID 79325233
2-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrol-1-yl]acetic acid
CID 114778133

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid (CID 79321939) is 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid is CC(C)(C)N1CCN(C(=O)c2cccn2CC(=O)O)CC1.
What is the InChIKey of 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid?
The InChIKey is IJRYCTSJHNZEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)18-9-7-16(8-10-18)14(21)12-5-4-6-17(12)11-13(19)20/h4-6H,7-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid?
2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylpiperazine-1-carbonyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79321939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).