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

C7H10N6O4 — CID 67194114

IUPAC2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESNc1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C7H10N6O4/c8-5-11-6(9-1-3(14)15)13-7(12-5)10-2-4(16)17/h1-2H2,(H,14,15)(H,16,17)(H4,8,9,10,11,12,13)
InChIKeyIPSUNZNMVLKBTQ-UHFFFAOYSA-N
MW242.19 g/mol
LogP-1.55
Rot. Bonds6

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

2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 67194114) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID67194114
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESNc1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C7H10N6O4/c8-5-11-6(9-1-3(14)15)13-7(12-5)10-2-4(16)17/h1-2H2,(H,14,15)(H,16,17)(H4,8,9,10,11,12,13)
InChIKeyIPSUNZNMVLKBTQ-UHFFFAOYSA-N
XLogP-1.55
TPSA163.35 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]propanoic acid
CID 91619743
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-({4-[(Carboxymethyl)amino]-6-(diethylamino)-1,3,5-triazin-2-YL}amino)acetic acid
CID 714181
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 67194114) is 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is Nc1nc(NCC(=O)O)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is IPSUNZNMVLKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O4/c8-5-11-6(9-1-3(14)15)13-7(12-5)10-2-4(16)17/h1-2H2,(H,14,15)(H,16,17)(H4,8,9,10,11,12,13).
What are the key properties of 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 242.19 g/mol, XLogP of -1.55, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 67194114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).