formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

C19H29N3O5 — CID 166599051

IUPACformic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(=O)n1.O=CO
InChIInChI=1S/C18H27N3O3.CH2O2/c1-13-11-14(2)21(17(24)19-13)10-6-16(23)20-9-4-8-18(12-20)7-3-5-15(18)22;2-1-3/h11,15,22H,3-10,12H2,1-2H3;1H,(H,2,3)/t15-,18+;/m1./s1
InChIKeyPFUARTLLURCUQO-CFILVAQYSA-N
MW379.46 g/mol
LogP1.10
Rot. Bonds3

About formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one

formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 166599051) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Nameformic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
PubChem CID166599051
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nameformic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(=O)n1.O=CO
InChIInChI=1S/C18H27N3O3.CH2O2/c1-13-11-14(2)21(17(24)19-13)10-6-16(23)20-9-4-8-18(12-20)7-3-5-15(18)22;2-1-3/h11,15,22H,3-10,12H2,1-2H3;1H,(H,2,3)/t15-,18+;/m1./s1
InChIKeyPFUARTLLURCUQO-CFILVAQYSA-N
XLogP1.10
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one (CID 166599051) is formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(=O)n1.O=CO.
What is the InChIKey of formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is PFUARTLLURCUQO-CFILVAQYSA-N. The full InChI is InChI=1S/C18H27N3O3.CH2O2/c1-13-11-14(2)21(17(24)19-13)10-6-16(23)20-9-4-8-18(12-20)7-3-5-15(18)22;2-1-3/h11,15,22H,3-10,12H2,1-2H3;1H,(H,2,3)/t15-,18+;/m1./s1.
What are the key properties of formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one?
formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[3-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 166599051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).