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Chemical ID: 4924265
Chemical ID:
4924265
Name [?]:
2-(methylcarbamoyl-(methylcarbamoylmethyl)amino)acetic acid
SMILES [?]:
CNC(=O)CN(CC(=O)O)C(=O)NC
InChi [?]:
InChI=1/C7H13N3O4/c1-8-5(11)3-10(4-6(12)13)7(14)9-2/h3-4H2,1-2H3,(H,8,11)(H,9,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,5,7,3,8,11,2,13,6,4,9,10,12/E:(12,13)/rA:14nCNCOCNCCOOCONC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s8;s6;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13N3O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.32315 |
Area: | 383.243 |
Solvation: | -4.25792 |
Coulombic: | -75.4682 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 203.196 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -1.95 |
LogP (Chemaxon): | -2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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