1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

C11H20N2O4 — CID 66742054

IUPAC1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLQDMNXJBIXXKSD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.22
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (PubChem CID 66742054) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
PubChem CID66742054
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NN1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLQDMNXJBIXXKSD-UHFFFAOYSA-N
XLogP1.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid (CID 66742054) is 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
The InChIKey is LQDMNXJBIXXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-13-6-4-8(5-7-13)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid is sourced from PubChem (CID 66742054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).