Chemical ID: 5048446

C1CCC(C1)(C(=O)O)NC(=O)C(CO)N
Chemical ID:
5048446
Name [?]:
1-(2-amino-3-hydroxy-propanoyl)aminocyclopentane-1-carboxylic acid
SMILES [?]:
C1CCC(C1)(C(=O)O)NC(=O)C(CO)N
InChi [?]:
InChI=1/C9H16N2O4/c10-6(5-12)7(13)11-9(8(14)15)3-1-2-4-9/h6,12H,1-5,10H2,(H,11,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,13,12,10,6,4,15,9,14,11,7,8/E:(1,2)(3,4)(14,15)/rA:15cCCCCCCOONCOCCON/rB:s1;s2;s3;s1s4;s4;d6;s6;s4;s9;d10;s10;s12;s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.50138
Area:378.812
Solvation:-3.96891
Coulombic:-76.2048
Bond Count [?]
All:15
Single:13
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:216.234
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-1.18
LogP (Chemaxon):-3.83

Name Annotations

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Descriptor Annotations

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