Chemical ID: 4662590

CCOC(=O)CCCN
Chemical ID:
4662590
Name [?]:
ethyl 4-aminobutanoate
SMILES [?]:
CCOC(=O)CCCN
InChi [?]:
InChI=1/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,4,9,5,3/rA:9nCCOCOCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.89265
Area:314.422
Solvation:-1.96791
Coulombic:-29.7658
Bond Count [?]
All:8
Single:7
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:131.173
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.08
LogP (Chemaxon):-0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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