Chemical ID: 5039182

CC(C(=O)NC1(CCCC1)C(=O)O)N
Chemical ID:
5039182
Name [?]:
1-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
SMILES [?]:
CC(C(=O)NC1(CCCC1)C(=O)O)N
InChi [?]:
InChI=1/C9H16N2O3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5,10H2,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,2,3,11,6,14,5,4,12,13/E:(2,3)(4,5)(13,14)/rA:14cCCCONCCCCCCOON/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;s6;d11;s11;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.78949
Area:358.821
Solvation:-3.18103
Coulombic:-59.3856
Bond Count [?]
All:14
Single:12
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.235
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-0.47
LogP (Chemaxon):-3.05

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Descriptor Annotations

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