Chemical ID: 6530674

CCOC(=O)C(CO)(C(=O)OCC)NC(=O)C
Chemical ID:
6530674
Name [?]:
diethyl 2-acetamido-2-(hydroxymethyl)propanedioate
SMILES [?]:
CCOC(=O)C(CO)(C(=O)OCC)NC(=O)C
InChi [?]:
InChI=1/C10H17NO6/c1-4-16-8(14)10(6-12,11-7(3)13)9(15)17-5-2/h12H,4-6H2,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,13,17,2,12,7,15,4,9,6,14,8,16,5,10,3,11/E:(1,2)(4,5)(8,9)(14,15)(16,17)/rA:17nCCOCOCCOCOOCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;s6;d9;s9;s11;s12;s6;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17NO6
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.82469
Area:431.885
Solvation:-5.97243
Coulombic:-73.6446
Bond Count [?]
All:16
Single:13
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:247.245
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-0.21
LogP (Chemaxon):-1.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue