2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C21H26N2O5 — CID 70716826

IUPAC2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1c(O)cccc1C(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2
InChIInChI=1S/C21H26N2O5/c1-13-15(3-2-4-17(13)24)19(26)22-9-7-21(8-10-22)11-16(20(27)28)23(12-21)18(25)14-5-6-14/h2-4,14,16,24H,5-12H2,1H3,(H,27,28)
InChIKeyGKLAZKRSJYINSG-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.02
Rot. Bonds3

About 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70716826) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70716826
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1c(O)cccc1C(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2
InChIInChI=1S/C21H26N2O5/c1-13-15(3-2-4-17(13)24)19(26)22-9-7-21(8-10-22)11-16(20(27)28)23(12-21)18(25)14-5-6-14/h2-4,14,16,24H,5-12H2,1H3,(H,27,28)
InChIKeyGKLAZKRSJYINSG-UHFFFAOYSA-N
XLogP2.02
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70721642
(3R)-2-acetyl-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97041619
(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95871679
2-(cyclopropanecarbonyl)-8-(3-hydroxy-4-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70766225
8-(cyclopropanecarbonyl)-2-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 170502619
8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70756805
2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70714171
(3R)-2-(cyclopropanecarbonyl)-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875779
8-(cyclopropanecarbonyl)-2-(3-methoxybenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70729245
(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95896511
(3S)-8-(cyclopropanecarbonyl)-2-(2-methylpyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869962
(3R)-8-(cyclopropanecarbonyl)-2-(furan-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869342

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70716826) is 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1c(O)cccc1C(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)C1CC1)C2.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GKLAZKRSJYINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13-15(3-2-4-17(13)24)19(26)22-9-7-21(8-10-22)11-16(20(27)28)23(12-21)18(25)14-5-6-14/h2-4,14,16,24H,5-12H2,1H3,(H,27,28).
What are the key properties of 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-(3-hydroxy-2-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70716826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).