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

C13H13N5O4 — CID 164612064

IUPAC2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(NCC(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O4/c19-9(20)6-14-12-16-11(8-4-2-1-3-5-8)17-13(18-12)15-7-10(21)22/h1-5H,6-7H2,(H,19,20)(H,21,22)(H2,14,15,16,17,18)
InChIKeyYYZDLRHAMLCMJA-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.53
Rot. Bonds7

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

2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 164612064) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID164612064
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(NCC(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N5O4/c19-9(20)6-14-12-16-11(8-4-2-1-3-5-8)17-13(18-12)15-7-10(21)22/h1-5H,6-7H2,(H,19,20)(H,21,22)(H2,14,15,16,17,18)
InChIKeyYYZDLRHAMLCMJA-UHFFFAOYSA-N
XLogP0.53
TPSA137.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid (CID 164612064) is 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid is O=C(O)CNc1nc(NCC(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is YYZDLRHAMLCMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c19-9(20)6-14-12-16-11(8-4-2-1-3-5-8)17-13(18-12)15-7-10(21)22/h1-5H,6-7H2,(H,19,20)(H,21,22)(H2,14,15,16,17,18).
What are the key properties of 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 303.28 g/mol, XLogP of 0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 164612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).