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

C13H22N2O5 — CID 664919

IUPAC1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyULZRHGGXRMHKJW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds3

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

1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 664919) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID664919
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyULZRHGGXRMHKJW-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid (CID 664919) is 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is ULZRHGGXRMHKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 664919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).