3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid

C12H16N2O4 — CID 110837113

IUPAC3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CCOc1cccnc1
InChIInChI=1S/C12H16N2O4/c1-14(7-4-12(16)17)11(15)5-8-18-10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,17)
InChIKeySKKYASMMYROJGZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.78
Rot. Bonds7

About 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid

3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid (PubChem CID 110837113) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
PubChem CID110837113
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CCOc1cccnc1
InChIInChI=1S/C12H16N2O4/c1-14(7-4-12(16)17)11(15)5-8-18-10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,17)
InChIKeySKKYASMMYROJGZ-UHFFFAOYSA-N
XLogP0.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837106
3-[4-(3-acetylphenoxy)butanoyl-methylamino]propanoic acid
CID 119232841
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 119060315

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid (CID 110837113) is 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)CCOc1cccnc1.
What is the InChIKey of 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid?
The InChIKey is SKKYASMMYROJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(7-4-12(16)17)11(15)5-8-18-10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid?
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid is sourced from PubChem (CID 110837113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).