Chemical ID: 4899523

CC(C)CC(C(=O)O)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Chemical ID:
4899523
Name [?]:
4-methyl-2-[(4-nitrophenyl)carbamoylamino]pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H17N3O5/c1-8(2)7-11(12(17)18)15-13(19)14-9-3-5-10(6-4-9)16(20)21/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,15,17,4,2,13,16,5,6,10,12,9,19,7,8,11,20,21/E:(1,2)(3,4)(5,6)(17,18)(20,21)/CRV:16.5/rA:21cCCCCCCOONCONCCCCCCN+OO-/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:4.35993
Area:505.421
Solvation:-8.27558
Coulombic:-72.8649
Bond Count [?]
All:21
Single:15
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:295.291
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.03
LogP (Chemaxon):2.58

Name Annotations

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Descriptor Annotations

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