8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H22N4O4 — CID 72841349

IUPAC8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc(C3CC3)nc1)CC2
InChIInChI=1S/C18H22N4O4/c1-21-14(23)8-13(17(25)26)18(21)4-6-22(7-5-18)16(24)12-9-19-15(20-10-12)11-2-3-11/h9-11,13H,2-8H2,1H3,(H,25,26)
InChIKeyFERCBMFTMHSRAH-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.89
Rot. Bonds3

About 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72841349) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72841349
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc(C3CC3)nc1)CC2
InChIInChI=1S/C18H22N4O4/c1-21-14(23)8-13(17(25)26)18(21)4-6-22(7-5-18)16(24)12-9-19-15(20-10-12)11-2-3-11/h9-11,13H,2-8H2,1H3,(H,25,26)
InChIKeyFERCBMFTMHSRAH-UHFFFAOYSA-N
XLogP0.89
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-[(2-Cyclopropyl-4-methyl-5-pyrimidinyl)carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72866758
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
8-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72876461
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195440
(2R,3R)-2-methyl-1-[2-(trifluoromethyl)pyrimidine-5-carbonyl]piperidine-3-carboxylic acid
CID 122116719
2-[1-(2-Propan-2-ylpyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 92632025
8-(Cyclopropanecarbonyl)-2-[(2-ethylpyrimidin-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56902154
8-[(2-Methyl-5-pyrimidinyl)carbonyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
2-Oxo-8-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72842961
1-Methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72848122

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72841349) is 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)c1cnc(C3CC3)nc1)CC2.
What is the InChIKey of 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FERCBMFTMHSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21-14(23)8-13(17(25)26)18(21)4-6-22(7-5-18)16(24)12-9-19-15(20-10-12)11-2-3-11/h9-11,13H,2-8H2,1H3,(H,25,26).
What are the key properties of 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropylpyrimidine-5-carbonyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72841349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).