2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid

C13H26N2O4 — CID 63989269

IUPAC2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
SMILESCC(C)OCC(O)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O4/c1-10(2)19-9-12(16)8-14-4-6-15(7-5-14)11(3)13(17)18/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyZRSUKLMDYUKJSG-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.14
Rot. Bonds7

About 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid

2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid (PubChem CID 63989269) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
PubChem CID63989269
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
SMILESCC(C)OCC(O)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O4/c1-10(2)19-9-12(16)8-14-4-6-15(7-5-14)11(3)13(17)18/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyZRSUKLMDYUKJSG-UHFFFAOYSA-N
XLogP-0.14
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78820436
N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid (CID 63989269) is 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid is CC(C)OCC(O)CN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid?
The InChIKey is ZRSUKLMDYUKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(2)19-9-12(16)8-14-4-6-15(7-5-14)11(3)13(17)18/h10-12,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid?
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid has a molecular weight of 274.36 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 63989269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).