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

C13H24N2O4 — CID 22025107

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJFRMIDKURKNWAE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds4

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

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid (PubChem CID 22025107) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid
PubChem CID22025107
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJFRMIDKURKNWAE-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid (CID 22025107) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid is CC(C)(C)OC(=O)NC(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid?
The InChIKey is JFRMIDKURKNWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)9-15-7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 22025107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).