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

C7H9N5O4 — CID 141087310

IUPAC2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncnc(NCC(=O)O)n1
InChIInChI=1S/C7H9N5O4/c13-4(14)1-8-6-10-3-11-7(12-6)9-2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16)(H2,8,9,10,11,12)
InChIKeyBQGRJWQOAPHKTF-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.14
Rot. Bonds6

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

2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 141087310) has the molecular formula C7H9N5O4 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID141087310
Molecular FormulaC7H9N5O4
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ncnc(NCC(=O)O)n1
InChIInChI=1S/C7H9N5O4/c13-4(14)1-8-6-10-3-11-7(12-6)9-2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16)(H2,8,9,10,11,12)
InChIKeyBQGRJWQOAPHKTF-UHFFFAOYSA-N
XLogP-1.14
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-
CID 23007
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
2-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]acetic acid
CID 53805339
2-[(4-Fluoro-1,3,5-triazin-2-yl)amino]acetic acid
CID 54051197
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 176432249
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 3489053
4,6-Dimethoxy-1,3,5-triazin-2-yl-glycine
CID 14670858
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]acetic acid;hydrate
CID 20477275

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 141087310) is 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is O=C(O)CNc1ncnc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is BQGRJWQOAPHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O4/c13-4(14)1-8-6-10-3-11-7(12-6)9-2-5(15)16/h3H,1-2H2,(H,13,14)(H,15,16)(H2,8,9,10,11,12).
What are the key properties of 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of -1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 141087310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).