2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid

C11H18N6O4 — CID 714181

IUPAC2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCCN(CC)c1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C11H18N6O4/c1-3-17(4-2)11-15-9(12-5-7(18)19)14-10(16-11)13-6-8(20)21/h3-6H2,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,16)
InChIKeyIAQJLBBRUCDQMZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.29
Rot. Bonds9

About 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid

2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 714181) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID714181
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCCN(CC)c1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C11H18N6O4/c1-3-17(4-2)11-15-9(12-5-7(18)19)14-10(16-11)13-6-8(20)21/h3-6H2,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,16)
InChIKeyIAQJLBBRUCDQMZ-UHFFFAOYSA-N
XLogP-0.29
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid with MolForge

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Related Compounds

Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-
CID 23007
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
Proglinazine
CID 14621415
Eglinazine
CID 109865
Glycine, N-(4,6-bis(dimethylamino)-s-triazin-2-yl)-N-methyl-
CID 47295
2,2'-((6-Ethoxy-1,3,5-triazine-2,4-diyl)bis(azanediyl))diacetic acid
CID 1878712
1,3,5-Triazine-2,4,6-triyltrisglycine
CID 17802206
2,2',2'',2''',2'''',2'''''-((1,3,5-Triazine-2,4,6-triyl)tris(azanetriyl))hexaacetic acid
CID 20377560
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 54314700
Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]triacetate
CID 67194763
Ethyl ({4-[(2-ethoxy-2-oxoethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)acetate
CID 56696110
Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 45029484

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 714181) is 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is CCN(CC)c1nc(NCC(=O)O)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is IAQJLBBRUCDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-3-17(4-2)11-15-9(12-5-7(18)19)14-10(16-11)13-6-8(20)21/h3-6H2,1-2H3,(H,18,19)(H,20,21)(H2,12,13,14,15,16).
What are the key properties of 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 298.30 g/mol, XLogP of -0.29, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 714181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).