3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid

C15H14N2O3 — CID 3456636

IUPAC3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(19)10-13(11-4-2-1-3-5-11)17-15(20)12-6-8-16-9-7-12/h1-9,13H,10H2,(H,17,20)(H,18,19)
InChIKeyNUJVFWWGRWNFLF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.03
Rot. Bonds5

About 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid

3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid (PubChem CID 3456636) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid
PubChem CID3456636
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c18-14(19)10-13(11-4-2-1-3-5-11)17-15(20)12-6-8-16-9-7-12/h1-9,13H,10H2,(H,17,20)(H,18,19)
InChIKeyNUJVFWWGRWNFLF-UHFFFAOYSA-N
XLogP2.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid?
The IUPAC name of 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid (CID 3456636) is 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid?
The canonical SMILES for 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid is O=C(O)CC(NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid?
The InChIKey is NUJVFWWGRWNFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)10-13(11-4-2-1-3-5-11)17-15(20)12-6-8-16-9-7-12/h1-9,13H,10H2,(H,17,20)(H,18,19).
What are the key properties of 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid?
3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(pyridine-4-carbonylamino)propanoic acid is sourced from PubChem (CID 3456636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).