Chemical ID: 6683892

CCCN(CCC)C(C)C(=O)O
Chemical ID:
6683892
Name [?]:
2-dipropylaminopropanoic acid
SMILES [?]:
CCCN(CCC)C(C)C(=O)O
InChi [?]:
InChI=1/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,9,2,6,3,5,8,10,4,11,12/E:(1,2)(4,5)(6,7)(11,12)/rA:12cCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s8;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.20365
Area:366.161
Solvation:-1.95037
Coulombic:-32.8388
Bond Count [?]
All:11
Single:10
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:173.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.53
LogP (Chemaxon):-0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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