10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

C21H25N3O4 — CID 139369941

IUPAC10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C21H25N3O4/c25-18-12-17(16-6-2-1-3-7-16)22-15-24(18)14-21(28)10-11-23(19(26)27)13-20(21)8-4-5-9-20/h1-3,6-7,12,15,28H,4-5,8-11,13-14H2,(H,26,27)
InChIKeyAWIYISLNYULONU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.59
Rot. Bonds3

About 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid

10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 139369941) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID139369941
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C21H25N3O4/c25-18-12-17(16-6-2-1-3-7-16)22-15-24(18)14-21(28)10-11-23(19(26)27)13-20(21)8-4-5-9-20/h1-3,6-7,12,15,28H,4-5,8-11,13-14H2,(H,26,27)
InChIKeyAWIYISLNYULONU-UHFFFAOYSA-N
XLogP2.59
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid (CID 139369941) is 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is AWIYISLNYULONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-18-12-17(16-6-2-1-3-7-16)22-15-24(18)14-21(28)10-11-23(19(26)27)13-20(21)8-4-5-9-20/h1-3,6-7,12,15,28H,4-5,8-11,13-14H2,(H,26,27).
What are the key properties of 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid?
10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 139369941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).