2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C9H13N3O3 — CID 136958430

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1nc(NC(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-6-11-7(4-8(13)12-6)10-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyGZRVRAQTIFUNRF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.22
Rot. Bonds4

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

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958430) 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)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958430
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCCc1nc(NC(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-3-6-11-7(4-8(13)12-6)10-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyGZRVRAQTIFUNRF-UHFFFAOYSA-N
XLogP0.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958430) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CCc1nc(NC(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is GZRVRAQTIFUNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-6-11-7(4-8(13)12-6)10-5(2)9(14)15/h4-5H,3H2,1-2H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 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)amino]propanoic acid is sourced from PubChem (CID 136958430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).