2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H24N4O4 — CID 72877968

IUPAC2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ncc(CC(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(=O)[nH]1
InChIInChI=1S/C17H24N4O4/c1-11-18-9-12(15(23)19-11)7-14(22)21-5-3-17(4-6-21)8-13(16(24)25)20(2)10-17/h9,13H,3-8,10H2,1-2H3,(H,24,25)(H,18,19,23)
InChIKeyYRTJAJAKVBHPHK-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.02
Rot. Bonds3

About 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72877968) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72877968
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ncc(CC(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(=O)[nH]1
InChIInChI=1S/C17H24N4O4/c1-11-18-9-12(15(23)19-11)7-14(22)21-5-3-17(4-6-21)8-13(16(24)25)20(2)10-17/h9,13H,3-8,10H2,1-2H3,(H,24,25)(H,18,19,23)
InChIKeyYRTJAJAKVBHPHK-UHFFFAOYSA-N
XLogP0.02
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 56906487
(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 133112153
5-[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 72898008
(3R)-2-methyl-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727982
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70711706
(3S)-8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869094
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147
(3S)-2-acetyl-8-[2-(4-chlorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97127872
(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715102
8-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56897239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72877968) is 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ncc(CC(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(=O)[nH]1.
What is the InChIKey of 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is YRTJAJAKVBHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-18-9-12(15(23)19-11)7-14(22)21-5-3-17(4-6-21)8-13(16(24)25)20(2)10-17/h9,13H,3-8,10H2,1-2H3,(H,24,25)(H,18,19,23).
What are the key properties of 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72877968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).