3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid

C20H31N3O5 — CID 156885263

IUPAC3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)no1
InChIInChI=1S/C20H31N3O5/c1-13(2)16(17(24)25)14-10-15(21-28-14)23-11-20(12-23)6-8-22(9-7-20)18(26)27-19(3,4)5/h10,13,16H,6-9,11-12H2,1-5H3,(H,24,25)
InChIKeyCKYHGBVIINQHNQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid

3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid (PubChem CID 156885263) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
PubChem CID156885263
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid
SMILESCC(C)C(C(=O)O)c1cc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)no1
InChIInChI=1S/C20H31N3O5/c1-13(2)16(17(24)25)14-10-15(21-28-14)23-11-20(12-23)6-8-22(9-7-20)18(26)27-19(3,4)5/h10,13,16H,6-9,11-12H2,1-5H3,(H,24,25)
InChIKeyCKYHGBVIINQHNQ-UHFFFAOYSA-N
XLogP3.34
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid with MolForge

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Related Compounds

tert-butyl 2-[5-[1-[2-[1-[4-(2,6-difluorophenyl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 166536117
CID 89265211
CID 89265211
tert-butyl 2-(5-amino-4-methoxy-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 176564154
tert-butyl 2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 165130455
tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 170986544
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 2-(6-amino-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 169033421
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-[3-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 118386250
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700
ethyl 2-[3-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1,2-oxazol-5-yl]-3-methylbutanoate
CID 166459026
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid?
The IUPAC name of 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid (CID 156885263) is 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid?
The canonical SMILES for 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid is CC(C)C(C(=O)O)c1cc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)no1.
What is the InChIKey of 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid?
The InChIKey is CKYHGBVIINQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-13(2)16(17(24)25)14-10-15(21-28-14)23-11-20(12-23)6-8-22(9-7-20)18(26)27-19(3,4)5/h10,13,16H,6-9,11-12H2,1-5H3,(H,24,25).
What are the key properties of 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid?
3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid has a molecular weight of 393.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-[7-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,2-oxazol-5-yl]butanoic acid is sourced from PubChem (CID 156885263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).