3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid

Formula:C18H17N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
MolecularFormula	C18H17N3O4
Smiles	OC(CCNC(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)=O)=O
InChI	InChI=1S/C18H17N3O4/c22-16(23)8-10-20-18(25)15(11-13-5-4-9-19-12-13)21-17(24)14-6-2-1-3-7-14/h1-7,9,11-12H,8,10H2,(H,20,25)(H,21,24)(H,22,23)
InChIK	UNSQZMQLNOAHDA-UHFFFAOYSA-N
TotalMolweight	339.35
Molweight	339.35
MonoisotopicMass	339.121907
CLogP	1.2986
CLogS	-2.616
H Acceptors	7
H Donors	3
TotalSurfaceArea	266.53
Relative PSA	0.32308
PolarSurfaceArea	108.39
Druglikeness	3.4523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid | 2 - 3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid

Request More Details | 3-[[(E)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments