4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid

C14H26N2O4 — CID 75430890

IUPAC4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11-6-9-16(10-7-11)8-4-5-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCHTDHFJEJGLFIP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds5

About 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid

4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid (PubChem CID 75430890) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid
PubChem CID75430890
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11-6-9-16(10-7-11)8-4-5-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyCHTDHFJEJGLFIP-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid (CID 75430890) is 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid is CC(C)(C)OC(=O)NC1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid?
The InChIKey is CHTDHFJEJGLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-11-6-9-16(10-7-11)8-4-5-12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid?
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 75430890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).