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

C21H28N2O4 — CID 56897997

IUPAC2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(CCOc3ccccc3)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C21H28N2O4/c24-19(16-6-7-16)23-15-21(14-18(23)20(25)26)8-10-22(11-9-21)12-13-27-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,25,26)
InChIKeyMWSALAIFGNEDOL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.24
Rot. Bonds6

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

2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56897997) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56897997
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(CCOc3ccccc3)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C21H28N2O4/c24-19(16-6-7-16)23-15-21(14-18(23)20(25)26)8-10-22(11-9-21)12-13-27-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,25,26)
InChIKeyMWSALAIFGNEDOL-UHFFFAOYSA-N
XLogP2.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-(cyclopropanecarbonyl)-8-(3-phenoxypropyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95729519
(3R)-2-(cyclopropanecarbonyl)-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875779
(3S)-8-(cyclopropanecarbonyl)-2-(3-phenylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870833
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
(3R)-8-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95891557
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
8-(cyclopropanecarbonyl)-2-(3-pyrrol-1-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70720900
(3S)-2-(cyclopropanecarbonyl)-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95871679
8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70756805
(3R)-2-(cyclopropanecarbonyl)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715929
[(4aR,8aR)-4a-hydroxy-7-(2-phenoxyethyl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclopentylmethanone
CID 72931009

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56897997) is 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(CCOc3ccccc3)CC2)CN1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MWSALAIFGNEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-19(16-6-7-16)23-15-21(14-18(23)20(25)26)8-10-22(11-9-21)12-13-27-17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,25,26).
What are the key properties of 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56897997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).