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

C12H20N2O5 — CID 19352050

IUPAC2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1=O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyGLPLDJICXMMSBB-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds3

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

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 19352050) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
PubChem CID19352050
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1=O
InChIInChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)
InChIKeyGLPLDJICXMMSBB-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
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]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid (CID 19352050) is 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid is CC(C)(C)OC(=O)NC1CCCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is GLPLDJICXMMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 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]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 19352050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).