methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate

C16H22N4O4 — CID 164699665

IUPACmethyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)n1
InChIInChI=1S/C16H22N4O4/c1-10-8-11(13(22)24-2)19-15(18-10)20-7-4-12(21)16(9-20)5-3-6-17-14(16)23/h8,12,21H,3-7,9H2,1-2H3,(H,17,23)/t12-,16+/m0/s1
InChIKeyYMJAAOHPONDLTF-BLLLJJGKSA-N
MW334.38 g/mol
LogP0.04
Rot. Bonds2

About methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate

methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate (PubChem CID 164699665) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate
PubChem CID164699665
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Namemethyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)n1
InChIInChI=1S/C16H22N4O4/c1-10-8-11(13(22)24-2)19-15(18-10)20-7-4-12(21)16(9-20)5-3-6-17-14(16)23/h8,12,21H,3-7,9H2,1-2H3,(H,17,23)/t12-,16+/m0/s1
InChIKeyYMJAAOHPONDLTF-BLLLJJGKSA-N
XLogP0.04
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate (CID 164699665) is methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C)nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)n1.
What is the InChIKey of methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate?
The InChIKey is YMJAAOHPONDLTF-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-10-8-11(13(22)24-2)19-15(18-10)20-7-4-12(21)16(9-20)5-3-6-17-14(16)23/h8,12,21H,3-7,9H2,1-2H3,(H,17,23)/t12-,16+/m0/s1.
What are the key properties of methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate?
methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 164699665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).