(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H24N4O3 — CID 124753241

IUPAC(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cccc(-n2cc(CN3CCC4(CC3)NC(=O)C[C@H]4C(=O)O)cn2)c1
InChIInChI=1S/C20H24N4O3/c1-14-3-2-4-16(9-14)24-13-15(11-21-24)12-23-7-5-20(6-8-23)17(19(26)27)10-18(25)22-20/h2-4,9,11,13,17H,5-8,10,12H2,1H3,(H,22,25)(H,26,27)/t17-/m0/s1
InChIKeyLQAPBBODRLEFAF-KRWDZBQOSA-N
MW368.44 g/mol
LogP1.74
Rot. Bonds4

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

(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 124753241) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID124753241
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cccc(-n2cc(CN3CCC4(CC3)NC(=O)C[C@H]4C(=O)O)cn2)c1
InChIInChI=1S/C20H24N4O3/c1-14-3-2-4-16(9-14)24-13-15(11-21-24)12-23-7-5-20(6-8-23)17(19(26)27)10-18(25)22-20/h2-4,9,11,13,17H,5-8,10,12H2,1H3,(H,22,25)(H,26,27)/t17-/m0/s1
InChIKeyLQAPBBODRLEFAF-KRWDZBQOSA-N
XLogP1.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-8-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207182
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 72902481
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
(4R)-8-[(5-cyano-1-methylpyrrol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97124838
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223
(1S,4R,8R)-9-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155510061
(4S)-8-(1H-benzimidazol-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124846890
(4R)-8-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202571
(4S)-4-(1-methylpyrazol-4-yl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97384106
(4S)-8-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97186659
(3S)-3-amino-1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 95206158
3-amino-1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56713964

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 124753241) is (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cccc(-n2cc(CN3CCC4(CC3)NC(=O)C[C@H]4C(=O)O)cn2)c1.
What is the InChIKey of (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LQAPBBODRLEFAF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-3-2-4-16(9-14)24-13-15(11-21-24)12-23-7-5-20(6-8-23)17(19(26)27)10-18(25)22-20/h2-4,9,11,13,17H,5-8,10,12H2,1H3,(H,22,25)(H,26,27)/t17-/m0/s1.
What are the key properties of (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 124753241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).