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

C12H17N3O5 — CID 60828233

IUPAC2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-3-7(2)15(6-11(18)19)10(17)5-8-4-9(16)14-12(20)13-8/h4,7H,3,5-6H2,1-2H3,(H,18,19)(H2,13,14,16,20)
InChIKeyLMTUVHYFFWYOKZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.68
Rot. Bonds6

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

2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 60828233) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID60828233
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-3-7(2)15(6-11(18)19)10(17)5-8-4-9(16)14-12(20)13-8/h4,7H,3,5-6H2,1-2H3,(H,18,19)(H2,13,14,16,20)
InChIKeyLMTUVHYFFWYOKZ-UHFFFAOYSA-N
XLogP-0.68
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
2-(2,4-dioxo-1H-pyrimidin-6-yl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
CID 91074666
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
CID 138968519
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-(6-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 12295372
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
CID 22075431
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170185
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171702
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 60828233) is 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is LMTUVHYFFWYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-7(2)15(6-11(18)19)10(17)5-8-4-9(16)14-12(20)13-8/h4,7H,3,5-6H2,1-2H3,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60828233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).