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Chemical ID: 3993268

Chemical ID:

3993268

Name [?]:

2-(2-furylcarbonylamino)-3-phenyl-propanoic acid

SMILES [?]:

c1ccc(cc1)CC(C(=O)O)NC(=O)c2ccco2

InChi [?]:

InChI=1/C14H13NO4/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,17,3,5,16,18,7,4,8,15,13,9,12,14,10,11,19/E:(2,3)(5,6)(17,18)/rA:19cCCCCCCCCCOONCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃NO₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	7.89986
Area:	450.93
Solvation:	-3.37339
Coulombic:	-58.3205

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	259.257
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.48
LogP (Chemaxon):	1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value