2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid

C9H13N3O3 — CID 136958339

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
SMILESCCc1nc(N(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-6-10-7(4-8(13)11-6)12(2)5-9(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyWXNRYTJIGZULPE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.15
Rot. Bonds4

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

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 136958339) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
PubChem CID136958339
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
SMILESCCc1nc(N(C)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-6-10-7(4-8(13)11-6)12(2)5-9(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H,10,11,13)
InChIKeyWXNRYTJIGZULPE-UHFFFAOYSA-N
XLogP-0.15
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959230
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959231
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 137015876
2-[4-(2-Methylpropanoylamino)-2-oxopyrimidin-1-yl]acetic acid
CID 85742307
2-(4-Acetamido-2-oxopyrimidin-1-yl)acetic acid
CID 129988780
2-[4-(dimethylamino)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 136316817
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid (CID 136958339) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid is CCc1nc(N(C)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is WXNRYTJIGZULPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-6-10-7(4-8(13)11-6)12(2)5-9(14)15/h4H,3,5H2,1-2H3,(H,14,15)(H,10,11,13).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 136958339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).