3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C11H14BrN3O4 — CID 122089989

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(NC(=O)NCC(C)(O)C(=O)O)ccc1Br
InChIInChI=1S/C11H14BrN3O4/c1-6-7(12)3-4-8(14-6)15-10(18)13-5-11(2,19)9(16)17/h3-4,19H,5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyLNKILGBHCUTYJW-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.11
Rot. Bonds4

About 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122089989) has the molecular formula C11H14BrN3O4 and a molecular weight of 332.15 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122089989
Molecular FormulaC11H14BrN3O4
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(NC(=O)NCC(C)(O)C(=O)O)ccc1Br
InChIInChI=1S/C11H14BrN3O4/c1-6-7(12)3-4-8(14-6)15-10(18)13-5-11(2,19)9(16)17/h3-4,19H,5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyLNKILGBHCUTYJW-UHFFFAOYSA-N
XLogP1.11
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576263
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 104780103
1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 99822609
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122089989) is 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is Cc1nc(NC(=O)NCC(C)(O)C(=O)O)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is LNKILGBHCUTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4/c1-6-7(12)3-4-8(14-6)15-10(18)13-5-11(2,19)9(16)17/h3-4,19H,5H2,1-2H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 332.15 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122089989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).