2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid

C13H19N3O5 — CID 63072592

IUPAC2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-9(2)6-16(8-12(19)20)11(18)7-15-5-4-10(17)14(3)13(15)21/h4-5,9H,6-8H2,1-3H3,(H,19,20)
InChIKeyOUGOSBDMYSMQEH-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.88
Rot. Bonds6

About 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63072592) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63072592
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O5/c1-9(2)6-16(8-12(19)20)11(18)7-15-5-4-10(17)14(3)13(15)21/h4-5,9H,6-8H2,1-3H3,(H,19,20)
InChIKeyOUGOSBDMYSMQEH-UHFFFAOYSA-N
XLogP-0.88
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid with MolForge

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Related Compounds

2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536
2-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193158
N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119660125
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[[2-[[2-[[2-[acetyl(aminomethyl)amino]acetyl]-(2-methylpropyl)amino]acetyl]-(aminomethyl)amino]acetyl]-(aminomethyl)amino]acetic acid
CID 118650049
N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 47182407
N-(2-methylpropyl)-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 42767748
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-methylpropyl)amino]acetic acid
CID 63072580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 63072592) is 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is OUGOSBDMYSMQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-9(2)6-16(8-12(19)20)11(18)7-15-5-4-10(17)14(3)13(15)21/h4-5,9H,6-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).