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

C8H12N6O4 — CID 118375941

IUPAC2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCNc1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C8H12N6O4/c1-9-6-12-7(10-2-4(15)16)14-8(13-6)11-3-5(17)18/h2-3H2,1H3,(H,15,16)(H,17,18)(H3,9,10,11,12,13,14)
InChIKeyUGMNEPBIDLNEHT-UHFFFAOYSA-N
MW256.22 g/mol
LogP-1.09
Rot. Bonds7

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

2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 118375941) has the molecular formula C8H12N6O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID118375941
Molecular FormulaC8H12N6O4
Molecular Weight256.22 g/mol
Exact Mass256.09
IUPAC Name2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCNc1nc(NCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C8H12N6O4/c1-9-6-12-7(10-2-4(15)16)14-8(13-6)11-3-5(17)18/h2-3H2,1H3,(H,15,16)(H,17,18)(H3,9,10,11,12,13,14)
InChIKeyUGMNEPBIDLNEHT-UHFFFAOYSA-N
XLogP-1.09
TPSA149.36 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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

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Related Compounds

Cyanazine acid
CID 181486
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
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
Carboxyethyl-simetryn
CID 85821503
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
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxylic acid
CID 597486

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 118375941) is 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid is CNc1nc(NCC(=O)O)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is UGMNEPBIDLNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O4/c1-9-6-12-7(10-2-4(15)16)14-8(13-6)11-3-5(17)18/h2-3H2,1H3,(H,15,16)(H,17,18)(H3,9,10,11,12,13,14).
What are the key properties of 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 256.22 g/mol, XLogP of -1.09, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 118375941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).