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

C13H24N2O4 — CID 66566402

IUPAC2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-4-6-15(7-5-10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGJYSGFHXOCCWOD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid (PubChem CID 66566402) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
PubChem CID66566402
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCC1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-4-6-15(7-5-10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGJYSGFHXOCCWOD-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid (CID 66566402) is 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid is CC(C)(C)OC(=O)NCC1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is GJYSGFHXOCCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-8-10-4-6-15(7-5-10)9-11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid?
2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66566402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).