3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid

C12H22N2O2 — CID 62269991

IUPAC3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)16)9-13-5-7-14(8-6-13)10-3-4-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyJJXZIENETRJTIQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds4

About 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid

3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 62269991) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID62269991
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)16)9-13-5-7-14(8-6-13)10-3-4-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyJJXZIENETRJTIQ-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-1-yl)-2,2-dimethylpropanoic acid
CID 66588470
2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
3-[4-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79621409
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
2,2-dimethyl-3-thiomorpholin-4-ylpropanoic acid
CID 59815681
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylbutanoic acid
CID 79936530
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid (CID 62269991) is 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CCN(C2CC2)CC1)C(=O)O.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is JJXZIENETRJTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,11(15)16)9-13-5-7-14(8-6-13)10-3-4-10/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62269991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).