Chemical ID: 5288659

CCCN(CCC)C(=O)NC(CC(C)C)C(=O)O
Chemical ID:
5288659
Name [?]:
2-(dipropylcarbamoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CCCN(CCC)C(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C13H26N2O3/c1-5-7-15(8-6-2)13(18)14-11(12(16)17)9-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,14,15,2,6,3,5,12,13,11,16,8,10,4,17,18,9/E:(1,2)(3,4)(5,6)(7,8)(16,17)/rA:18cCCCNCCCCONCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H26N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.4238
Area:485.596
Solvation:-2.71609
Coulombic:-58.5188
Bond Count [?]
All:17
Single:15
Double:2
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:258.357
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.4
LogP (Chemaxon):2.33

Name Annotations

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Descriptor Annotations

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