(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid

C13H19NO5 — CID 124639061

IUPAC(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC(=O)[C@]12CCN(C(=O)O)C2
InChIInChI=1S/C13H19NO5/c1-12(2,3)19-10(16)8-6-9(15)13(8)4-5-14(7-13)11(17)18/h8H,4-7H2,1-3H3,(H,17,18)/t8-,13-/m0/s1
InChIKeyZIMORWKJEOKKIP-SDBXPKJASA-N
MW269.30 g/mol
LogP1.29
Rot. Bonds1

About (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid

(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid (PubChem CID 124639061) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid
PubChem CID124639061
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC(=O)[C@]12CCN(C(=O)O)C2
InChIInChI=1S/C13H19NO5/c1-12(2,3)19-10(16)8-6-9(15)13(8)4-5-14(7-13)11(17)18/h8H,4-7H2,1-3H3,(H,17,18)/t8-,13-/m0/s1
InChIKeyZIMORWKJEOKKIP-SDBXPKJASA-N
XLogP1.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 124639064
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 167720791
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
tert-butyl (4R,5R)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111729
tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111728
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 154499622
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
(4R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-8-azaspiro[4.5]decane-4-carboxylic acid
CID 155905422
(3R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368050

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid (CID 124639061) is (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CC(=O)[C@]12CCN(C(=O)O)C2.
What is the InChIKey of (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is ZIMORWKJEOKKIP-SDBXPKJASA-N. The full InChI is InChI=1S/C13H19NO5/c1-12(2,3)19-10(16)8-6-9(15)13(8)4-5-14(7-13)11(17)18/h8H,4-7H2,1-3H3,(H,17,18)/t8-,13-/m0/s1.
What are the key properties of (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid?
(1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-7-azaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 124639061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).