Chemical ID: 5194994

C1CCC(C1)(CC(=O)NCCCO)CC(=O)O
Chemical ID:
5194994
Name [?]:
2-[1-(3-hydroxypropylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
C1CCC(C1)(CC(=O)NCCCO)CC(=O)O
InChi [?]:
InChI=1/C12H21NO4/c14-7-3-6-13-10(15)8-12(9-11(16)17)4-1-2-5-12/h14H,1-9H2,(H,13,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,5,3,10,12,6,14,7,15,4,9,13,8,16,17/E:(1,2)(4,5)(16,17)/rA:17nCCCCCCCONCCCOCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s11;s12;s4;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.49646
Area:441.524
Solvation:-3.54164
Coulombic:-62.8095
Bond Count [?]
All:17
Single:15
Double:2
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.299
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.0
LogP (Chemaxon):0.06

Name Annotations

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Descriptor Annotations

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