Chemical ID: 4901609

CCC(C)C(C(=O)OC)NC(=O)N1CCCC1
Chemical ID:
4901609
Name [?]:
methyl 3-methyl-2-pyrrolidin-1-ylcarbonylamino-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)N1CCCC1
InChi [?]:
InChI=1/C12H22N2O3/c1-4-9(2)10(11(15)17-3)13-12(16)14-7-5-6-8-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,4,9,2,15,16,14,17,3,5,6,11,10,13,7,12,8/E:(5,6)(7,8)/rA:17cCCCCCCOOCNCONCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.63357
Area:431.266
Solvation:-2.14808
Coulombic:-50.2735
Bond Count [?]
All:17
Single:15
Double:2
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:242.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.45
LogP (Chemaxon):1.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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