2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

C8H10BrN3O3 — CID 66308738

IUPAC2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1ncn(CC(N)C(=O)O)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-4-6(9)7(13)12(3-11-4)2-5(10)8(14)15/h3,5H,2,10H2,1H3,(H,14,15)
InChIKeyFYZXNTJNCZCUQI-UHFFFAOYSA-N
MW276.09 g/mol
LogP-0.27
Rot. Bonds3

About 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 66308738) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID66308738
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1ncn(CC(N)C(=O)O)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-4-6(9)7(13)12(3-11-4)2-5(10)8(14)15/h3,5H,2,10H2,1H3,(H,14,15)
InChIKeyFYZXNTJNCZCUQI-UHFFFAOYSA-N
XLogP-0.27
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 65443611
2-Amino-3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66308576
2-Acetamido-3-(5-bromo-6-oxopyrimidin-1-yl)propanoic acid
CID 66308899
3-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66309595
2-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66309804
2-Amino-3-(5-bromo-6-oxopyrimidin-1-yl)propanoic acid
CID 66310603
Methyl 2-acetamido-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoate
CID 66311088
2-Acetamido-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66311089
2-Acetamido-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66341982
2-Amino-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 66343099
3-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79629480
2-Amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941515

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 66308738) is 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is Cc1ncn(CC(N)C(=O)O)c(=O)c1Br.
What is the InChIKey of 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is FYZXNTJNCZCUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c1-4-6(9)7(13)12(3-11-4)2-5(10)8(14)15/h3,5H,2,10H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 276.09 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 66308738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).