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

C11H15N3O5 — CID 61006698

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-2-3-14(6-10(17)18)9(16)5-7-4-8(15)13-11(19)12-7/h4H,2-3,5-6H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyOUCMAQNXUAEXIX-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.07
Rot. Bonds6

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid (PubChem CID 61006698) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid
PubChem CID61006698
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-2-3-14(6-10(17)18)9(16)5-7-4-8(15)13-11(19)12-7/h4H,2-3,5-6H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyOUCMAQNXUAEXIX-UHFFFAOYSA-N
XLogP-1.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
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-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788561
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-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
CID 141429908
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid (CID 61006698) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
The InChIKey is OUCMAQNXUAEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-3-14(6-10(17)18)9(16)5-7-4-8(15)13-11(19)12-7/h4H,2-3,5-6H2,1H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 61006698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).