2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid

C13H24N2O4 — CID 54593523

IUPAC2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17)
InChIKeySXMRPRGMUNAZJA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.40
Rot. Bonds2

About 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid

2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid (PubChem CID 54593523) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
PubChem CID54593523
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17)
InChIKeySXMRPRGMUNAZJA-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid (CID 54593523) is 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid is CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid?
The InChIKey is SXMRPRGMUNAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)14-6-8-15(9-7-14)13(4,5)10(16)17/h6-9H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid?
2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 54593523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).