(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid

C14H21NO5 — CID 124639064

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C(=O)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C14H21NO5/c1-13(2,3)20-11(17)10-9(16)8-14(10)4-6-15(7-5-14)12(18)19/h10H,4-8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyRRZUHNOQOMNHSV-SNVBAGLBSA-N
MW283.32 g/mol
LogP1.68
Rot. Bonds1

About (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid

(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 124639064) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID124639064
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@H]1C(=O)CC12CCN(C(=O)O)CC2
InChIInChI=1S/C14H21NO5/c1-13(2,3)20-11(17)10-9(16)8-14(10)4-6-15(7-5-14)12(18)19/h10H,4-8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyRRZUHNOQOMNHSV-SNVBAGLBSA-N
XLogP1.68
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonyl]-8,10-dioxo-3-azaspiro[5.5]undecane-11-carboxylic acid
CID 172761368
(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid
CID 124639061
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146563060
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368050
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,4-dicarboxylic acid
CID 66873251
tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate
CID 10845089
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 124639064) is (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)OC(=O)[C@H]1C(=O)CC12CCN(C(=O)O)CC2.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is RRZUHNOQOMNHSV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO5/c1-13(2,3)20-11(17)10-9(16)8-14(10)4-6-15(7-5-14)12(18)19/h10H,4-8H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid?
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 124639064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).