7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid

C14H24N2O4 — CID 146075362

IUPAC7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
SMILESCN1CCC2(C1)CN(C(=O)OC(C)(C)C)CC2C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-7-10(11(17)18)14(9-16)5-6-15(4)8-14/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyREEVDKPQMGJTAN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds1

About 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid

7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid (PubChem CID 146075362) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid.

Molecular Properties

Compound Name7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
PubChem CID146075362
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
SMILESCN1CCC2(C1)CN(C(=O)OC(C)(C)C)CC2C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-7-10(11(17)18)14(9-16)5-6-15(4)8-14/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyREEVDKPQMGJTAN-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid?
The IUPAC name of 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid (CID 146075362) is 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid.
What is the SMILES notation for 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid?
The canonical SMILES for 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid is CN1CCC2(C1)CN(C(=O)OC(C)(C)C)CC2C(=O)O.
What is the InChIKey of 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid?
The InChIKey is REEVDKPQMGJTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(19)16-7-10(11(17)18)14(9-16)5-6-15(4)8-14/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid?
7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonane-4-carboxylic acid is sourced from PubChem (CID 146075362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).