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Chemical ID: 6714912

Chemical ID:

6714912

Name [?]:

2-[2-(2-methoxyphenoxy)acetyl]aminopropanoate

SMILES [?]:

CC(C(=O)[O-])NC(=O)COc1ccccc1OC

InChi [?]:

InChI=1/C12H15NO5/c1-8(12(15)16)13-11(14)7-18-10-6-4-3-5-9(10)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1

InChi Info:

AuxInfo=1/1/N:1,18,14,13,15,12,9,2,16,11,7,3,6,8,4,5,17,10/E:(15,16)/rA:18cCCCOO-NCOCOCCCCCCOC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₄NO_5-
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	-36.6873
Area:	452.536
Solvation:	-48.0007
Coulombic:	-34.9637

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	252.243
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.18
LogP (Chemaxon):	0.54

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