2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

C10H13N3O4 — CID 43354544

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O4/c1-5-7(6(2)13-10(17)12-5)3-8(14)11-4-9(15)16/h3-4H2,1-2H3,(H,11,14)(H,15,16)(H,12,13,17)
InChIKeyOFOGNJHFAVFTFI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.87
Rot. Bonds4

About 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (PubChem CID 43354544) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
PubChem CID43354544
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O4/c1-5-7(6(2)13-10(17)12-5)3-8(14)11-4-9(15)16/h3-4H2,1-2H3,(H,11,14)(H,15,16)(H,12,13,17)
InChIKeyOFOGNJHFAVFTFI-UHFFFAOYSA-N
XLogP-0.87
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (CID 43354544) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The InChIKey is OFOGNJHFAVFTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-7(6(2)13-10(17)12-5)3-8(14)11-4-9(15)16/h3-4H2,1-2H3,(H,11,14)(H,15,16)(H,12,13,17).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43354544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).