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

C12H17N3O4 — CID 54901135

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O4/c1-4-15(6-11(17)18)10(16)5-9-7(2)13-12(19)14-8(9)3/h4-6H2,1-3H3,(H,17,18)(H,13,14,19)
InChIKeyDMLHRNLHDUAUIO-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.14
Rot. Bonds5

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

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid (PubChem CID 54901135) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid
PubChem CID54901135
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O4/c1-4-15(6-11(17)18)10(16)5-9-7(2)13-12(19)14-8(9)3/h4-6H2,1-3H3,(H,17,18)(H,13,14,19)
InChIKeyDMLHRNLHDUAUIO-UHFFFAOYSA-N
XLogP-0.14
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid (CID 54901135) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid?
The InChIKey is DMLHRNLHDUAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-15(6-11(17)18)10(16)5-9-7(2)13-12(19)14-8(9)3/h4-6H2,1-3H3,(H,17,18)(H,13,14,19).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-ethylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 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]-ethylamino]acetic acid is sourced from PubChem (CID 54901135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).