6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione

C15H21N3O5 — CID 72937772

IUPAC6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2
InChIInChI=1S/C15H21N3O5/c1-2-23-11-8-10(19)15(11)3-5-18(6-4-15)13(21)9-7-12(20)17-14(22)16-9/h7,10-11,19H,2-6,8H2,1H3,(H2,16,17,20,22)/t10-,11+/m1/s1
InChIKeyLGVPRMBKGJETHZ-MNOVXSKESA-N
MW323.35 g/mol
LogP-0.54
Rot. Bonds3

About 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione

6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72937772) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID72937772
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2
InChIInChI=1S/C15H21N3O5/c1-2-23-11-8-10(19)15(11)3-5-18(6-4-15)13(21)9-7-12(20)17-14(22)16-9/h7,10-11,19H,2-6,8H2,1H3,(H2,16,17,20,22)/t10-,11+/m1/s1
InChIKeyLGVPRMBKGJETHZ-MNOVXSKESA-N
XLogP-0.54
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 97216177
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 133135434
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-ethyl-2-hydroxyphenyl)methanone
CID 124623467
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione (CID 72937772) is 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2.
What is the InChIKey of 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LGVPRMBKGJETHZ-MNOVXSKESA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-23-11-8-10(19)15(11)3-5-18(6-4-15)13(21)9-7-12(20)17-14(22)16-9/h7,10-11,19H,2-6,8H2,1H3,(H2,16,17,20,22)/t10-,11+/m1/s1.
What are the key properties of 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72937772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).