5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate

C12H18NO4- — CID 134129326

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)[O-])C2(CC2)C1
InChIInChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(7-13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15)/p-1
InChIKeyXDFSKDGVRVJWGF-UHFFFAOYSA-M
MW240.28 g/mol
LogP0.38
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate (PubChem CID 134129326) has the molecular formula C12H18NO4- and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
PubChem CID134129326
Molecular FormulaC12H18NO4-
Molecular Weight240.28 g/mol
Exact Mass240.12
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)[O-])C2(CC2)C1
InChIInChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(7-13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15)/p-1
InChIKeyXDFSKDGVRVJWGF-UHFFFAOYSA-M
XLogP0.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
CID 127264203
tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 171834277
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425
(3S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 97290598
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-prop-2-enoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170756263
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
CID 166445109

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate (CID 134129326) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)[O-])C2(CC2)C1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate?
The InChIKey is XDFSKDGVRVJWGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8(9(14)15)12(7-13)4-5-12/h8H,4-7H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate?
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate is sourced from PubChem (CID 134129326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).