[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium

C9H14N3O4+ — CID 7289782

IUPAC[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5-3-12(9(15)11-7(5)13)4-6(10)8(14)16-2/h3,6H,4,10H2,1-2H3,(H,11,13,15)/p+1/t6-/m1/s1
InChIKeyGOQUKIFKCPEBQX-ZCFIWIBFSA-O
MW228.23 g/mol
LogP-2.37
Rot. Bonds3

About [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium

[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium (PubChem CID 7289782) has the molecular formula C9H14N3O4+ and a molecular weight of 228.23 g/mol. Its IUPAC name is [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
PubChem CID7289782
Molecular FormulaC9H14N3O4+
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC Name[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5-3-12(9(15)11-7(5)13)4-6(10)8(14)16-2/h3,6H,4,10H2,1-2H3,(H,11,13,15)/p+1/t6-/m1/s1
InChIKeyGOQUKIFKCPEBQX-ZCFIWIBFSA-O
XLogP-2.37
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione;methylsulfinylmethane;dihydrate
CID 139190226
cyanomethyl 2-amino-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate;hydrochloride
CID 154977941
dilithium;5-methyl-1-[(2R)-2-(phosphonatomethoxy)propyl]pyrimidine-2,4-dione
CID 11659294
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
5-methyl-1-[(2S)-2,4,4-trimethylpentyl]pyrimidine-2,4-dione
CID 170680091
methyl 2-bromo-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanoate
CID 81098357
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
CID 23628543
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
methyl (2S)-2-[(2-aminophenyl)methyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
CID 10738158

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium (CID 7289782) is [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium is COC(=O)[C@H]([NH3+])Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium?
The InChIKey is GOQUKIFKCPEBQX-ZCFIWIBFSA-O. The full InChI is InChI=1S/C9H13N3O4/c1-5-3-12(9(15)11-7(5)13)4-6(10)8(14)16-2/h3,6H,4,10H2,1-2H3,(H,11,13,15)/p+1/t6-/m1/s1.
What are the key properties of [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium?
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium has a molecular weight of 228.23 g/mol, XLogP of -2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7289782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).