3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

C14H19N3O4 — CID 135999715

IUPAC3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7(14(20)21)6-17(3)13(19)10-8(2)15-11(9-4-5-9)16-12(10)18/h7,9H,4-6H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyGEUJYQNKOIIESB-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.75
Rot. Bonds5

About 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 135999715) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID135999715
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-7(14(20)21)6-17(3)13(19)10-8(2)15-11(9-4-5-9)16-12(10)18/h7,9H,4-6H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyGEUJYQNKOIIESB-UHFFFAOYSA-N
XLogP0.75
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 135999715) is 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1nc(C2CC2)[nH]c(=O)c1C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is GEUJYQNKOIIESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7(14(20)21)6-17(3)13(19)10-8(2)15-11(9-4-5-9)16-12(10)18/h7,9H,4-6H2,1-3H3,(H,20,21)(H,15,16,18).
What are the key properties of 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 135999715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).