methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate

C16H28N2O6 — CID 22880368

IUPACmethyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O6/c1-11(17-15(21)24-16(2,3)4)14(20)18-8-6-12(7-9-18)23-10-13(19)22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyVNUVDDPKTCYHPF-NSHDSACASA-N
MW344.41 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate

methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate (PubChem CID 22880368) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
PubChem CID22880368
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Namemethyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate
SMILESCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N2O6/c1-11(17-15(21)24-16(2,3)4)14(20)18-8-6-12(7-9-18)23-10-13(19)22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1
InChIKeyVNUVDDPKTCYHPF-NSHDSACASA-N
XLogP1.08
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate (CID 22880368) is methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate is COC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
The InChIKey is VNUVDDPKTCYHPF-NSHDSACASA-N. The full InChI is InChI=1S/C16H28N2O6/c1-11(17-15(21)24-16(2,3)4)14(20)18-8-6-12(7-9-18)23-10-13(19)22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-/m0/s1.
What are the key properties of methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate?
methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate has a molecular weight of 344.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 22880368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).