2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

C14H25NO4 — CID 21180615

IUPAC2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(12(16)17)9-11-5-7-15(8-6-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyQKXPOOWSSUBXJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

About 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid (PubChem CID 21180615) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
PubChem CID21180615
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(12(16)17)9-11-5-7-15(8-6-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyQKXPOOWSSUBXJT-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid (CID 21180615) is 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid is CC(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
The InChIKey is QKXPOOWSSUBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(12(16)17)9-11-5-7-15(8-6-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid?
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 21180615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).