3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid

C12H17N3O4 — CID 122086793

IUPAC3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(NC(=O)N(C)CCC(=O)O)c(C)n1
InChIInChI=1S/C12H17N3O4/c1-8-9(4-5-10(13-8)19-3)14-12(18)15(2)7-6-11(16)17/h4-5H,6-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNNJNIPMUZZQCEJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds5

About 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid

3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid (PubChem CID 122086793) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid
PubChem CID122086793
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(NC(=O)N(C)CCC(=O)O)c(C)n1
InChIInChI=1S/C12H17N3O4/c1-8-9(4-5-10(13-8)19-3)14-12(18)15(2)7-6-11(16)17/h4-5H,6-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNNJNIPMUZZQCEJ-UHFFFAOYSA-N
XLogP1.34
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 104849680
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
4-(methoxymethyl)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71919213
2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776537
3-[methyl-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]amino]propanoic acid
CID 122084828
3-[(2-ethoxycarbonyl-3,5-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 122087967
2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212
3-[[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl-methylamino]propanoic acid
CID 122088326
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
3-[methyl-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 66477759

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid (CID 122086793) is 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid is COc1ccc(NC(=O)N(C)CCC(=O)O)c(C)n1.
What is the InChIKey of 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is NNJNIPMUZZQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-9(4-5-10(13-8)19-3)14-12(18)15(2)7-6-11(16)17/h4-5H,6-7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid?
3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methyl-3-pyridinyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).