4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid

C12H15N3O6 — CID 115291699

IUPAC4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H15N3O6/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)1-3-21-4-2-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeySWSNUABUOMDWHR-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.64
Rot. Bonds4

About 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid

4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid (PubChem CID 115291699) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid
PubChem CID115291699
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H15N3O6/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)1-3-21-4-2-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeySWSNUABUOMDWHR-UHFFFAOYSA-N
XLogP-1.64
TPSA141.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
CID 115291609
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43341202
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123543
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209203
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid (CID 115291699) is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid?
The InChIKey is SWSNUABUOMDWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-8-5-7(13-11(20)14-8)6-9(17)15-12(10(18)19)1-3-21-4-2-12/h5H,1-4,6H2,(H,15,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid?
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).