(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid

C15H24N2O3 — CID 59441094

IUPAC(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
SMILESCC(C)(C)NC(=O)N1C[C@]2(C[C@H]1C(=O)O)CC21CCC1
InChIInChI=1S/C15H24N2O3/c1-13(2,3)16-12(20)17-9-15(7-10(17)11(18)19)8-14(15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t10-,15-/m0/s1
InChIKeySIPQMHYELAMRRH-BONVTDFDSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds1

About (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid

(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid (PubChem CID 59441094) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid.

Molecular Properties

Compound Name(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
PubChem CID59441094
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
SMILESCC(C)(C)NC(=O)N1C[C@]2(C[C@H]1C(=O)O)CC21CCC1
InChIInChI=1S/C15H24N2O3/c1-13(2,3)16-12(20)17-9-15(7-10(17)11(18)19)8-14(15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t10-,15-/m0/s1
InChIKeySIPQMHYELAMRRH-BONVTDFDSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8S)-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
CID 170166141
(5S,8S)-7-N-tert-butyl-8-N-[(6E)-3,4,12-trioxo-2,13-diazabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-5-yl]-7-azadispiro[3.0.45.14]decane-7,8-dicarboxamide
CID 70863428
(5S,8S)-7-N-tert-butyl-8-N-[(5R)-3,4,13-trioxo-2,14-diazabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-5-yl]-7-azadispiro[3.0.45.14]decane-7,8-dicarboxamide
CID 91301092
(3S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 69045674
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
CID 143738811
(5R,8S)-10,10-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azadispiro[3.0.45.14]decane-8-carboxylic acid
CID 58363278
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 90262412
(3S,5R)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-2-azaspiro[4.6]undecane-3-carboxylic acid
CID 135227221
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid?
The IUPAC name of (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid (CID 59441094) is (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid.
What is the SMILES notation for (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid?
The canonical SMILES for (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid is CC(C)(C)NC(=O)N1C[C@]2(C[C@H]1C(=O)O)CC21CCC1.
What is the InChIKey of (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid?
The InChIKey is SIPQMHYELAMRRH-BONVTDFDSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-13(2,3)16-12(20)17-9-15(7-10(17)11(18)19)8-14(15)5-4-6-14/h10H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t10-,15-/m0/s1.
What are the key properties of (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid?
(5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-7-(tert-butylcarbamoyl)-7-azadispiro[3.0.45.14]decane-8-carboxylic acid is sourced from PubChem (CID 59441094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).