(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H22N2O5 — CID 95869342

IUPAC(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccco1
InChIInChI=1S/C18H22N2O5/c21-15(12-3-4-12)19-7-5-18(6-8-19)10-13(17(23)24)20(11-18)16(22)14-2-1-9-25-14/h1-2,9,12-13H,3-8,10-11H2,(H,23,24)/t13-/m1/s1
InChIKeyHCRGOZAFNLGKBH-CYBMUJFWSA-N
MW346.38 g/mol
LogP1.60
Rot. Bonds3

About (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95869342) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95869342
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccco1
InChIInChI=1S/C18H22N2O5/c21-15(12-3-4-12)19-7-5-18(6-8-19)10-13(17(23)24)20(11-18)16(22)14-2-1-9-25-14/h1-2,9,12-13H,3-8,10-11H2,(H,23,24)/t13-/m1/s1
InChIKeyHCRGOZAFNLGKBH-CYBMUJFWSA-N
XLogP1.60
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

(3S)-8-(cyclopropanecarbonyl)-2-(furan-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861935
(3S)-8-(cyclopropanecarbonyl)-2-(3-phenylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870833
8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70756805
(3S)-8-(cyclopropanecarbonyl)-2-(2-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869962
8-(cyclopropanecarbonyl)-2-(2-ethylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70775041
8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70723113
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 71929615
8-(cyclopropanecarbonyl)-2-(3-pyrrol-1-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70720900
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70716826
(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95871679
[(3aR,6aR)-1-(furan-2-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 124787875

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95869342) is (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1C(=O)c1ccco1.
What is the InChIKey of (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is HCRGOZAFNLGKBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-15(12-3-4-12)19-7-5-18(6-8-19)10-13(17(23)24)20(11-18)16(22)14-2-1-9-25-14/h1-2,9,12-13H,3-8,10-11H2,(H,23,24)/t13-/m1/s1.
What are the key properties of (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95869342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).