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

C7H8ClN5O4 — CID 23007

IUPAC2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)nc(NCC(=O)O)n1
InChIInChI=1S/C7H8ClN5O4/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)(H2,9,10,11,12,13)
InChIKeyQACJNLFCDPDUNE-UHFFFAOYSA-N
MW261.62 g/mol
LogP-0.48
Rot. Bonds6

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

2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 23007) has the molecular formula C7H8ClN5O4 and a molecular weight of 261.62 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID23007
Molecular FormulaC7H8ClN5O4
Molecular Weight261.62 g/mol
Exact Mass261.03
IUPAC Name2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)nc(NCC(=O)O)n1
InChIInChI=1S/C7H8ClN5O4/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)(H2,9,10,11,12,13)
InChIKeyQACJNLFCDPDUNE-UHFFFAOYSA-N
XLogP-0.48
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.62
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(carboxymethylamino)-6-chloro-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
Proglinazine
CID 14621415
Eglinazine
CID 109865
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-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 54314700
Ricochet
CID 181520
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]acetic acid
CID 53805339
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-chloro-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid (CID 23007) is 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid is O=C(O)CNc1nc(Cl)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is QACJNLFCDPDUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O4/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)(H2,9,10,11,12,13).
What are the key properties of 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 261.62 g/mol, XLogP of -0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 23007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).