3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid

C12H16N2O3 — CID 82323263

IUPAC3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCCC(=O)N(CCC(=O)O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-2-11(15)14(7-5-12(16)17)9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17)
InChIKeyHPVFYPFRAIBSKT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds6

About 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid

3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid (PubChem CID 82323263) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
PubChem CID82323263
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
SMILESCCC(=O)N(CCC(=O)O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-2-11(15)14(7-5-12(16)17)9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17)
InChIKeyHPVFYPFRAIBSKT-UHFFFAOYSA-N
XLogP1.29
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
4-[[2-carboxyethyl(propanoyl)amino]methyl]benzoic acid
CID 82323288
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
3-[(2,2-dimethylpyrrolidine-1-carbonyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 166290413
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522

Frequently Asked Questions

What is the IUPAC name of 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid (CID 82323263) is 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid is CCC(=O)N(CCC(=O)O)Cc1cccnc1.
What is the InChIKey of 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid?
The InChIKey is HPVFYPFRAIBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-11(15)14(7-5-12(16)17)9-10-4-3-6-13-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17).
What are the key properties of 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid?
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82323263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).