3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid

C15H18N2O3 — CID 107274194

IUPAC3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)N1CC=CCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-8-12-6-2-3-7-13(12)16-15(20)17-10-4-1-5-11-17/h1-4,6-7H,5,8-11H2,(H,16,20)(H,18,19)
InChIKeyYTBKJBFUWWMBDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.50
Rot. Bonds4

About 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid

3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid (PubChem CID 107274194) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid
PubChem CID107274194
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)N1CC=CCC1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-8-12-6-2-3-7-13(12)16-15(20)17-10-4-1-5-11-17/h1-4,6-7H,5,8-11H2,(H,16,20)(H,18,19)
InChIKeyYTBKJBFUWWMBDI-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-methylthiomorpholine-4-carbonyl)amino]phenyl]propanoic acid
CID 107274181
3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
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2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
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2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]benzoic acid
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4-(3,6-dihydro-2H-pyridine-1-carbonylamino)-4-phenylbutanoic acid
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3-[2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)phenyl]propanoic acid
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3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721642
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid (CID 107274194) is 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)N1CC=CCC1.
What is the InChIKey of 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid?
The InChIKey is YTBKJBFUWWMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)9-8-12-6-2-3-7-13(12)16-15(20)17-10-4-1-5-11-17/h1-4,6-7H,5,8-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid?
3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 107274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).