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

C18H22N4O4 — CID 72866758

IUPAC8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C18H22N4O4/c1-10-12(9-19-15(20-10)11-2-3-11)16(24)22-6-4-18(5-7-22)13(17(25)26)8-14(23)21-18/h9,11,13H,2-8H2,1H3,(H,21,23)(H,25,26)
InChIKeyNNLNYZQKTUPRLQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.86
Rot. Bonds3

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

8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72866758) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72866758
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O
InChIInChI=1S/C18H22N4O4/c1-10-12(9-19-15(20-10)11-2-3-11)16(24)22-6-4-18(5-7-22)13(17(25)26)8-14(23)21-18/h9,11,13H,2-8H2,1H3,(H,21,23)(H,25,26)
InChIKeyNNLNYZQKTUPRLQ-UHFFFAOYSA-N
XLogP0.86
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72866758) is 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1nc(C2CC2)ncc1C(=O)N1CCC2(CC1)NC(=O)CC2C(=O)O.
What is the InChIKey of 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NNLNYZQKTUPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10-12(9-19-15(20-10)11-2-3-11)16(24)22-6-4-18(5-7-22)13(17(25)26)8-14(23)21-18/h9,11,13H,2-8H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72866758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).