2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid

C16H14N4O4 — CID 166986385

IUPAC2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ccc2nc3cc(NCC(=O)O)ccc3nc2c1
InChIInChI=1S/C16H14N4O4/c21-15(22)7-17-9-1-3-11-13(5-9)20-12-4-2-10(6-14(12)19-11)18-8-16(23)24/h1-6,17-18H,7-8H2,(H,21,22)(H,23,24)
InChIKeyJRGSNXROLNJFLB-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.78
Rot. Bonds6

About 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid

2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid (PubChem CID 166986385) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid
PubChem CID166986385
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1ccc2nc3cc(NCC(=O)O)ccc3nc2c1
InChIInChI=1S/C16H14N4O4/c21-15(22)7-17-9-1-3-11-13(5-9)20-12-4-2-10(6-14(12)19-11)18-8-16(23)24/h1-6,17-18H,7-8H2,(H,21,22)(H,23,24)
InChIKeyJRGSNXROLNJFLB-UHFFFAOYSA-N
XLogP1.78
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromoanilino)acetic acid
CID 6917281
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
2-anilinoacetic acid;hydrazine
CID 67393863
2-(4-formylanilino)acetic acid
CID 21163243
2-[(9,9-difluorofluoren-3-yl)amino]acetic acid
CID 169197961
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
2-(4-cyano-3-fluoroanilino)acetic acid
CID 127019892
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-(4-isocyanoanilino)acetic acid
CID 59288116

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid (CID 166986385) is 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid is O=C(O)CNc1ccc2nc3cc(NCC(=O)O)ccc3nc2c1.
What is the InChIKey of 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid?
The InChIKey is JRGSNXROLNJFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c21-15(22)7-17-9-1-3-11-13(5-9)20-12-4-2-10(6-14(12)19-11)18-8-16(23)24/h1-6,17-18H,7-8H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid?
2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(carboxymethylamino)phenazin-2-yl]amino]acetic acid is sourced from PubChem (CID 166986385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).