8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H26N4O4 — CID 72916407

IUPAC8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nn(CCO)cc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C17H26N4O4/c1-12-13(11-21(18-12)7-8-22)10-20-5-3-17(4-6-20)14(16(24)25)9-15(23)19(17)2/h11,14,22H,3-10H2,1-2H3,(H,24,25)
InChIKeyNLNRIMHSWKZJGK-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.08
Rot. Bonds5

About 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72916407) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72916407
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nn(CCO)cc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C17H26N4O4/c1-12-13(11-21(18-12)7-8-22)10-20-5-3-17(4-6-20)14(16(24)25)9-15(23)19(17)2/h11,14,22H,3-10H2,1-2H3,(H,24,25)
InChIKeyNLNRIMHSWKZJGK-UHFFFAOYSA-N
XLogP0.08
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-8-[(2-carboxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97198034
(4R)-8-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97205339
(4R)-8-[(2,3-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97192922
8-[(4-acetylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916923
(4R)-8-[(5-chloro-2-fluorophenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97188485
8-(2,1,3-benzoxadiazol-4-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72872853
(4R)-8-(1H-imidazol-2-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97150923
(4S)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191361
(4S)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210187
(4R)-1-methyl-8-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204698
[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70740164
(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 125448134

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72916407) is 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1nn(CCO)cc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C.
What is the InChIKey of 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NLNRIMHSWKZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-12-13(11-21(18-12)7-8-22)10-20-5-3-17(4-6-20)14(16(24)25)9-15(23)19(17)2/h11,14,22H,3-10H2,1-2H3,(H,24,25).
What are the key properties of 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).