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Chemical ID: 3967724
Chemical ID:
3967724
Name [?]:
2-amino-5-ethanimidoylamino-pentanoic acid
SMILES [?]:
CC(=N)NCCCC(C(=O)O)N
InChi [?]:
InChI=1/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,2,8,9,3,12,4,10,11/E:(11,12)/rA:12cCCNNCCCCCOON/rB:s1;w2;s2;s4;s5;s6;s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15N3O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.37085 |
Area: | 372.305 |
Solvation: | -2.93678 |
Coulombic: | -60.1695 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 173.213 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | -2.36 |
LogP (Chemaxon): | -4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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