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Chemical ID: 6727975

Chemical ID:

6727975

Name [?]:

methyl 2-(2-ethoxycarbonylacetyl)aminobenzoate

SMILES [?]:

CCOC(=O)CC(=O)Nc1ccccc1C(=O)OC

InChi [?]:

InChI=1/C13H15NO5/c1-3-19-12(16)8-11(15)14-10-7-5-4-6-9(10)13(17)18-2/h4-7H,3,8H2,1-2H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,19,2,13,12,14,11,6,15,10,7,4,16,9,8,5,17,18,3/rA:19nCCOCOCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₅NO₅
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.50044
Area:	464.791
Solvation:	-4.11934
Coulombic:	-56.3318

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	265.262
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.38
LogP (Chemaxon):	1.8

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value