2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid

C15H25NO4 — CID 18670570

IUPAC2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C2
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)9-11(10-15)8-12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyLTQHZBPBTVFUHG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.89
Rot. Bonds2

About 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid

2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid (PubChem CID 18670570) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid
PubChem CID18670570
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C2
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)9-11(10-15)8-12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyLTQHZBPBTVFUHG-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid?
The IUPAC name of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid (CID 18670570) is 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid.
What is the SMILES notation for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid?
The canonical SMILES for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCC2(CC1)CC(CC(=O)O)C2.
What is the InChIKey of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid?
The InChIKey is LTQHZBPBTVFUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)9-11(10-15)8-12(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid?
2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]acetic acid is sourced from PubChem (CID 18670570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).