2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid

C14H23F3N2O4 — CID 67145218

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CN1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C14H23F3N2O4/c1-13(2,3)23-12(22)18-10(11(20)21)8-19-6-4-9(5-7-19)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyQIUKJWMHAGCNKP-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid (PubChem CID 67145218) has the molecular formula C14H23F3N2O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
PubChem CID67145218
Molecular FormulaC14H23F3N2O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NC(CN1CCC(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C14H23F3N2O4/c1-13(2,3)23-12(22)18-10(11(20)21)8-19-6-4-9(5-7-19)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyQIUKJWMHAGCNKP-UHFFFAOYSA-N
XLogP2.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.24
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-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid (CID 67145218) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid is CC(C)(C)OC(=O)NC(CN1CCC(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
The InChIKey is QIUKJWMHAGCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O4/c1-13(2,3)23-12(22)18-10(11(20)21)8-19-6-4-9(5-7-19)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.24, 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-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 67145218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).