1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione

C19H29N3O5 — CID 154568791

IUPAC1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)O1
InChIInChI=1S/C19H29N3O5/c1-13(2)15-11-14(23)12-19(27-15)5-9-21(10-6-19)17(25)4-8-22-7-3-16(24)20-18(22)26/h3,7,13-15,23H,4-6,8-12H2,1-2H3,(H,20,24,26)/t14-,15-/m1/s1
InChIKeyQKAMIPQDXUDWOQ-HUUCEWRRSA-N
MW379.46 g/mol
LogP0.48
Rot. Bonds4

About 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 154568791) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID154568791
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)O1
InChIInChI=1S/C19H29N3O5/c1-13(2)15-11-14(23)12-19(27-15)5-9-21(10-6-19)17(25)4-8-22-7-3-16(24)20-18(22)26/h3,7,13-15,23H,4-6,8-12H2,1-2H3,(H,20,24,26)/t14-,15-/m1/s1
InChIKeyQKAMIPQDXUDWOQ-HUUCEWRRSA-N
XLogP0.48
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 154568791) is 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione is CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)CC2)O1.
What is the InChIKey of 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is QKAMIPQDXUDWOQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-13(2)15-11-14(23)12-19(27-15)5-9-21(10-6-19)17(25)4-8-22-7-3-16(24)20-18(22)26/h3,7,13-15,23H,4-6,8-12H2,1-2H3,(H,20,24,26)/t14-,15-/m1/s1.
What are the key properties of 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 154568791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).