Chemical ID: 5255263

CCC(C)C(C(=O)NCC(=O)OC)N
Chemical ID:
5255263
Name [?]:
methyl 2-(2-amino-3-methyl-pentanoyl)aminoacetate
SMILES [?]:
CCC(C)C(C(=O)NCC(=O)OC)N
InChi [?]:
InChI=1/C9H18N2O3/c1-4-6(2)8(10)9(13)11-5-7(12)14-3/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,4,13,2,9,3,10,5,6,14,8,11,7,12/rA:14cCCCCCCONCCOOCN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s10;s12;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:7.28964
Area:403.493
Solvation:-2.79769
Coulombic:-52.2967
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:202.251
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.06
LogP (Chemaxon):-0.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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