2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid

C11H15N3O3 — CID 102921592

IUPAC2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-11(4-2,10(16)17)14-9(15)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWTAPJABLMMGLAA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds5

About 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid

2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid (PubChem CID 102921592) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
PubChem CID102921592
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1cncnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-3-11(4-2,10(16)17)14-9(15)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWTAPJABLMMGLAA-UHFFFAOYSA-N
XLogP0.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic 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-[(4-aminobenzoyl)amino]-2-ethylbutanoic acid
CID 142416078
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
CID 79807322
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79814143
N-methylpyrimidine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 175748264
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 107371615
N-(4-chloro-2-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922852
N'-ethylpyrimidine-5-carbohydrazide
CID 140545121
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
N-methylpyrimidine-5-carboxamide
CID 23534458

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid (CID 102921592) is 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid is CCC(CC)(NC(=O)c1cncnc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid?
The InChIKey is WTAPJABLMMGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-11(4-2,10(16)17)14-9(15)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid?
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid is sourced from PubChem (CID 102921592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).