6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid

C13H21NO4 — CID 129317695

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2C(=O)O)C1
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14)5-4-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIDCSHSTTWUYEMK-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.11
Rot. Bonds1

About 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid (PubChem CID 129317695) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
PubChem CID129317695
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCC2C(=O)O)C1
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14)5-4-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIDCSHSTTWUYEMK-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
(3R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97290035
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
CID 134129326
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
8-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 170758016

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid (CID 129317695) is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CCC2C(=O)O)C1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid?
The InChIKey is IDCSHSTTWUYEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14)5-4-9(13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid is sourced from PubChem (CID 129317695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).