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

C13H19N3O5 — CID 122094505

IUPAC3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOc1ncc(C)cc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-4-21-10-9(5-8(2)6-14-10)16-12(19)15-7-13(3,20)11(17)18/h5-6,20H,4,7H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFVHQFONPOGAJOD-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.75
Rot. Bonds6

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

3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122094505) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122094505
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOc1ncc(C)cc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-4-21-10-9(5-8(2)6-14-10)16-12(19)15-7-13(3,20)11(17)18/h5-6,20H,4,7H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFVHQFONPOGAJOD-UHFFFAOYSA-N
XLogP0.75
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094832
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122087413
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089926
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576263

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122094505) is 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CCOc1ncc(C)cc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is FVHQFONPOGAJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-4-21-10-9(5-8(2)6-14-10)16-12(19)15-7-13(3,20)11(17)18/h5-6,20H,4,7H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122094505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).