tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate

C19H26N2O4 — CID 124615985

IUPACtert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)25-16(22)14-6-4-5-7-15(14)20-17(23)21-10-8-19(12-21)9-11-24-13-19/h4-7H,8-13H2,1-3H3,(H,20,23)/t19-/m1/s1
InChIKeyXUDYPMXEICVQHT-LJQANCHMSA-N
MW346.43 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate

tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate (PubChem CID 124615985) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
PubChem CID124615985
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
SMILESCC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C19H26N2O4/c1-18(2,3)25-16(22)14-6-4-5-7-15(14)20-17(23)21-10-8-19(12-21)9-11-24-13-19/h4-7H,8-13H2,1-3H3,(H,20,23)/t19-/m1/s1
InChIKeyXUDYPMXEICVQHT-LJQANCHMSA-N
XLogP3.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate?
The IUPAC name of tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate (CID 124615985) is tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate.
What is the SMILES notation for tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate?
The canonical SMILES for tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate is CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate?
The InChIKey is XUDYPMXEICVQHT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-18(2,3)25-16(22)14-6-4-5-7-15(14)20-17(23)21-10-8-19(12-21)9-11-24-13-19/h4-7H,8-13H2,1-3H3,(H,20,23)/t19-/m1/s1.
What are the key properties of tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate?
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate has a molecular weight of 346.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate is sourced from PubChem (CID 124615985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).