3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid

C10H17N3O2 — CID 79621560

IUPAC3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCNCC1C#N)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-10(2,9(14)15)7-13-4-3-12-6-8(13)5-11/h8,12H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeySZBWUMMIFQTNFK-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.11
Rot. Bonds3

About 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid

3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79621560) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79621560
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCNCC1C#N)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-10(2,9(14)15)7-13-4-3-12-6-8(13)5-11/h8,12H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeySZBWUMMIFQTNFK-UHFFFAOYSA-N
XLogP-0.11
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-methylpropyl)piperazine-2-carbonitrile
CID 79085872
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240
3-(2-cyanopiperazin-1-yl)propanamide
CID 79086609
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
1-(2-hydroxyethyl)piperazine-2-carbonitrile
CID 79085109
1-[(2S)-2-hydroxypropyl]piperazine-2-carbonitrile
CID 106933588
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
1-(2-methylpropyl)piperazine-2-carbonitrile
CID 79085427
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
CID 82892035
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 79085439

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid (CID 79621560) is 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCNCC1C#N)C(=O)O.
What is the InChIKey of 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is SZBWUMMIFQTNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,9(14)15)7-13-4-3-12-6-8(13)5-11/h8,12H,3-4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid?
3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).