2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid

C15H26N2O6 — CID 18335634

IUPAC2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H26N2O6/c1-10(16-14(21)23-15(2,3)4)13(20)17-7-5-11(6-8-17)22-9-12(18)19/h10-11H,5-9H2,1-4H3,(H,16,21)(H,18,19)/t10-/m0/s1
InChIKeyQFPSCNVQIIHQDM-JTQLQIEISA-N
MW330.38 g/mol
LogP0.99
Rot. Bonds5

About 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 18335634) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid
PubChem CID18335634
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C15H26N2O6/c1-10(16-14(21)23-15(2,3)4)13(20)17-7-5-11(6-8-17)22-9-12(18)19/h10-11H,5-9H2,1-4H3,(H,16,21)(H,18,19)/t10-/m0/s1
InChIKeyQFPSCNVQIIHQDM-JTQLQIEISA-N
XLogP0.99
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid (CID 18335634) is 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is QFPSCNVQIIHQDM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N2O6/c1-10(16-14(21)23-15(2,3)4)13(20)17-7-5-11(6-8-17)22-9-12(18)19/h10-11H,5-9H2,1-4H3,(H,16,21)(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 330.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 18335634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).