4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid

C14H19N3O7 — CID 175801362

IUPAC4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
SMILESCc1cn([C@H]2CNC[C@@H](COC(=O)CCC(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N3O7/c1-8-6-17(14(22)16-13(8)21)10-5-15-4-9(24-10)7-23-12(20)3-2-11(18)19/h6,9-10,15H,2-5,7H2,1H3,(H,18,19)(H,16,21,22)/t9-,10+/m0/s1
InChIKeyMGFQAPMJCPIPTQ-VHSXEESVSA-N
MW341.32 g/mol
LogP-1.26
Rot. Bonds6

About 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid

4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid (PubChem CID 175801362) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
PubChem CID175801362
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Name4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
SMILESCc1cn([C@H]2CNC[C@@H](COC(=O)CCC(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N3O7/c1-8-6-17(14(22)16-13(8)21)10-5-15-4-9(24-10)7-23-12(20)3-2-11(18)19/h6,9-10,15H,2-5,7H2,1H3,(H,18,19)(H,16,21,22)/t9-,10+/m0/s1
InChIKeyMGFQAPMJCPIPTQ-VHSXEESVSA-N
XLogP-1.26
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid with MolForge

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Related Compounds

[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methyl 4-(dioctadecylamino)-4-oxobutanoate
CID 157287469
1-[(6S)-6-(hydroxymethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 167109570
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 167668198
12-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-12-oxododecanoic acid
CID 86579901
1-[(2R,6S)-6-[[dimethylamino(methylsulfanyl)phosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 155467716
4-[(2R,3R,5R)-2-(deuteriooxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 162478089
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 90424481
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-aminoacetate;hydrochloride
CID 44581776
bis[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hexanedioate
CID 175047875
4-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 90136209

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid (CID 175801362) is 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid is Cc1cn([C@H]2CNC[C@@H](COC(=O)CCC(=O)O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid?
The InChIKey is MGFQAPMJCPIPTQ-VHSXEESVSA-N. The full InChI is InChI=1S/C14H19N3O7/c1-8-6-17(14(22)16-13(8)21)10-5-15-4-9(24-10)7-23-12(20)3-2-11(18)19/h6,9-10,15H,2-5,7H2,1H3,(H,18,19)(H,16,21,22)/t9-,10+/m0/s1.
What are the key properties of 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid?
4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid has a molecular weight of 341.32 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid is sourced from PubChem (CID 175801362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).