2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid

C12H19NO5 — CID 131875250

IUPAC2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC2(COC2CC(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-5-12(6-13)7-17-8(12)4-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyUVWFHBRMKZMOKN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.10
Rot. Bonds2

About 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid

2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid (PubChem CID 131875250) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid
PubChem CID131875250
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC2(COC2CC(=O)O)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-5-12(6-13)7-17-8(12)4-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyUVWFHBRMKZMOKN-UHFFFAOYSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid with MolForge

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Related Compounds

tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141431
tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 82667423
2-[(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 163321538
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
CID 150244500
2-[3-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140750
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-(hydroxymethyl)-3-(methylamino)azetidine-1-carboxylate
CID 130606000
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 155977752
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid?
The IUPAC name of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid (CID 131875250) is 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid?
The canonical SMILES for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC2(COC2CC(=O)O)C1.
What is the InChIKey of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid?
The InChIKey is UVWFHBRMKZMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-5-12(6-13)7-17-8(12)4-9(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid?
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid is sourced from PubChem (CID 131875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).