2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid

C14H23NO5 — CID 138991057

IUPAC2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)OC2(CCC2)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-10(7-11(16)17)19-14(9-15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyBPUPJGRNXZFBRW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.02
Rot. Bonds2

About 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid

2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid (PubChem CID 138991057) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
PubChem CID138991057
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)OC2(CCC2)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-10(7-11(16)17)19-14(9-15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyBPUPJGRNXZFBRW-UHFFFAOYSA-N
XLogP2.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid?
The IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid (CID 138991057) is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid?
The canonical SMILES for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)OC2(CCC2)C1.
What is the InChIKey of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid?
The InChIKey is BPUPJGRNXZFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-10(7-11(16)17)19-14(9-15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid?
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid is sourced from PubChem (CID 138991057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).