2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid

C11H15N3O4 — CID 135744002

IUPAC2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)9(18)14-10-12-6(5-8(16)17)4-7(15)13-10/h4H,5H2,1-3H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyUKLMZGTVGVNGSD-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.38
Rot. Bonds3

About 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid

2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (PubChem CID 135744002) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
PubChem CID135744002
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)9(18)14-10-12-6(5-8(16)17)4-7(15)13-10/h4H,5H2,1-3H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyUKLMZGTVGVNGSD-UHFFFAOYSA-N
XLogP0.38
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135528313
(2-Amino-6-oxo-3,6-dihydropyrimidin-4-yl)acetic acid
CID 135408643
4-Pyrimidineacetic acid, alpha-bromo-2-((2,2-dimethyl-1-oxopropyl)amino)-1,6-dihydro-6-oxo-, methyl ester
CID 135743973
Methyl 2-(2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrimidin-6-yl)acetate
CID 135744001
2-(2-(Diethylamino)-6-hydroxypyrimidin-4-yl)acetic acid
CID 135741829
2-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
CID 135840404
4-Hydroxy-2-ethylaminopyrimidin-6-yl acetic acid
CID 135840405
2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 82406851
2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83856782
[2-(Acetylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]acetic acid
CID 135408644
2-(2-amino-6-oxo-1H-pyrimidin-4-yl)propanoate
CID 136249822
2-(2-amino-6-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 136249823

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (CID 135744002) is 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is CC(C)(C)C(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The InChIKey is UKLMZGTVGVNGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)9(18)14-10-12-6(5-8(16)17)4-7(15)13-10/h4H,5H2,1-3H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 135744002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).