4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid

C12H15N3O6 — CID 115291609

IUPAC4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H15N3O6/c16-8-1-4-15(11(20)13-8)7-9(17)14-12(10(18)19)2-5-21-6-3-12/h1,4H,2-3,5-7H2,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyDKVMPLMUQVMYII-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.71
Rot. Bonds4

About 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid

4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid (PubChem CID 115291609) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
PubChem CID115291609
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C12H15N3O6/c16-8-1-4-15(11(20)13-8)7-9(17)14-12(10(18)19)2-5-21-6-3-12/h1,4H,2-3,5-7H2,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyDKVMPLMUQVMYII-UHFFFAOYSA-N
XLogP-1.71
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid with MolForge

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Related Compounds

(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(oxan-4-ylamino)propanoic acid
CID 56774538
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244214
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methoxybutanoic acid
CID 62478596
4-Methoxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 62479494
3-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888045
3-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888406
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807328
2-Ethyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 79813727
2-[4-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 80415290
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954132
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 103954246
(2R)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823315

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid (CID 115291609) is 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid?
The InChIKey is DKVMPLMUQVMYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-8-1-4-15(11(20)13-8)7-9(17)14-12(10(18)19)2-5-21-6-3-12/h1,4H,2-3,5-7H2,(H,14,17)(H,18,19)(H,13,16,20).
What are the key properties of 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid?
4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).