2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid

C12H15N3O3 — CID 120521227

IUPAC2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCc1ncc(C(=O)NC(C(=O)O)C2CC2)c(C)n1
InChIInChI=1S/C12H15N3O3/c1-6-9(5-13-7(2)14-6)11(16)15-10(12(17)18)8-3-4-8/h5,8,10H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDZGONKPRKZYODY-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.69
Rot. Bonds4

About 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 120521227) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID120521227
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCc1ncc(C(=O)NC(C(=O)O)C2CC2)c(C)n1
InChIInChI=1S/C12H15N3O3/c1-6-9(5-13-7(2)14-6)11(16)15-10(12(17)18)8-3-4-8/h5,8,10H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDZGONKPRKZYODY-UHFFFAOYSA-N
XLogP0.69
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521059
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid
CID 167754418
2-cyclopropyl-2-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 119213639
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid (CID 120521227) is 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid is Cc1ncc(C(=O)NC(C(=O)O)C2CC2)c(C)n1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is DZGONKPRKZYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6-9(5-13-7(2)14-6)11(16)15-10(12(17)18)8-3-4-8/h5,8,10H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 120521227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).