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Chemical ID: 7151754

Chemical ID:

7151754

Name [?]:

2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]propanoic acid

SMILES [?]:

CC(C(=O)O)Nc1nc(nc(n1)N2CCCC2)N3CCCC3

InChi [?]:

InChI=1/C14H22N6O2/c1-10(11(21)22)15-12-16-13(19-6-2-3-7-19)18-14(17-12)20-8-4-5-9-20/h10H,2-9H2,1H3,(H,21,22)(H,15,16,17,18)

InChi Info:

AuxInfo=1/1/N:1,15,16,20,21,14,17,19,22,2,3,7,11,9,6,12,8,10,13,18,4,5/E:(2,3,4,5)(6,7,8,9)(13,14)(16,17)(19,20)(21,22)/rA:22cCCCOONCNCNCNNCCCCNCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;s13s16;s9;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₂N₆O₂
All Atoms:	44
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.143
Area:	510.485
Solvation:	-2.61917
Coulombic:	-72.613

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	306.364
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.07
LogP (Chemaxon):	0.61

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value