2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid

C12H22N2O4 — CID 66566397

IUPAC2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9-5-4-6-14(7-9)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXLJZVODYVORIOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid (PubChem CID 66566397) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
PubChem CID66566397
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9-5-4-6-14(7-9)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyXLJZVODYVORIOT-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid (CID 66566397) is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid is CC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
The InChIKey is XLJZVODYVORIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9-5-4-6-14(7-9)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).