1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C19H29N3O5 — CID 154571683

IUPAC1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N3O5/c1-12(2)15-8-14(23)9-19(27-15)4-6-21(7-5-19)16(24)11-22-10-13(3)17(25)20-18(22)26/h10,12,14-15,23H,4-9,11H2,1-3H3,(H,20,25,26)/t14-,15-/m1/s1
InChIKeyGCKGDHXYOOORCN-HUUCEWRRSA-N
MW379.46 g/mol
LogP0.40
Rot. Bonds3

About 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 154571683) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID154571683
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N3O5/c1-12(2)15-8-14(23)9-19(27-15)4-6-21(7-5-19)16(24)11-22-10-13(3)17(25)20-18(22)26/h10,12,14-15,23H,4-9,11H2,1-3H3,(H,20,25,26)/t14-,15-/m1/s1
InChIKeyGCKGDHXYOOORCN-HUUCEWRRSA-N
XLogP0.40
TPSA104.63 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 154571683) is 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GCKGDHXYOOORCN-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-12(2)15-8-14(23)9-19(27-15)4-6-21(7-5-19)16(24)11-22-10-13(3)17(25)20-18(22)26/h10,12,14-15,23H,4-9,11H2,1-3H3,(H,20,25,26)/t14-,15-/m1/s1.
What are the key properties of 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 154571683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).