8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C14H23NO6 — CID 22309197

IUPAC8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C14H23NO6/c1-12(2,3)21-11(18)15-13(10(16)17)4-6-14(7-5-13)19-8-9-20-14/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVQEUODXDPTZPSA-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.65
Rot. Bonds2

About 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 22309197) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID22309197
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C14H23NO6/c1-12(2,3)21-11(18)15-13(10(16)17)4-6-14(7-5-13)19-8-9-20-14/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVQEUODXDPTZPSA-UHFFFAOYSA-N
XLogP1.65
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 22309197) is 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is VQEUODXDPTZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-12(2,3)21-11(18)15-13(10(16)17)4-6-14(7-5-13)19-8-9-20-14/h4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 22309197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).