2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid

C15H16FN5O5 — CID 165114143

IUPAC2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(-c2nncnn2)cc1OCCF
InChIInChI=1S/C15H16FN5O5/c16-3-4-26-12-5-10(15-19-17-9-18-20-15)1-2-11(12)6-21(7-13(22)23)8-14(24)25/h1-2,5,9H,3-4,6-8H2,(H,22,23)(H,24,25)
InChIKeyWSMMCEDUNSSCJZ-UHFFFAOYSA-N
MW365.32 g/mol
LogP0.25
Rot. Bonds10

About 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid

2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid (PubChem CID 165114143) has the molecular formula C15H16FN5O5 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
PubChem CID165114143
Molecular FormulaC15H16FN5O5
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)Cc1ccc(-c2nncnn2)cc1OCCF
InChIInChI=1S/C15H16FN5O5/c16-3-4-26-12-5-10(15-19-17-9-18-20-15)1-2-11(12)6-21(7-13(22)23)8-14(24)25/h1-2,5,9H,3-4,6-8H2,(H,22,23)(H,24,25)
InChIKeyWSMMCEDUNSSCJZ-UHFFFAOYSA-N
XLogP0.25
TPSA138.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(carboxymethyl)-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]azanium;2,2,2-trifluoroacetate
CID 165174539
Bis(carboxymethyl)-[[2-hydroxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]azanium;2,2,2-trifluoroacetate
CID 165174551
Bis(carboxymethyl)-[[2-methoxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]azanium;2,2,2-trifluoroacetate
CID 165174554
Tert-butyl 2-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 165174569
Bis(carboxymethyl)-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]-methylazanium
CID 171606873
2-[Carboxymethyl-[[2-hydroxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]-2-(2,2,2-trifluoroacetyl)oxyacetic acid
CID 174164894
2-[Carboxymethyl-[[2-methoxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]-2-(2,2,2-trifluoroacetyl)oxyacetic acid
CID 174164898
2-[Carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 174164909
2-[Carboxymethyl-[[2-methoxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 174202147
2-[Carboxymethyl-[[2-hydroxy-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 174202471
2-[Carboxymethyl-[[2-[2-(4-fluorophenyl)ethoxy]-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
CID 177910345
2-[Carboxymethyl-[[2-[(4-fluorophenyl)methoxy]-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
CID 177910347

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid (CID 165114143) is 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid is O=C(O)CN(CC(=O)O)Cc1ccc(-c2nncnn2)cc1OCCF.
What is the InChIKey of 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid?
The InChIKey is WSMMCEDUNSSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O5/c16-3-4-26-12-5-10(15-19-17-9-18-20-15)1-2-11(12)6-21(7-13(22)23)8-14(24)25/h1-2,5,9H,3-4,6-8H2,(H,22,23)(H,24,25).
What are the key properties of 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid?
2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid has a molecular weight of 365.32 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[[2-(2-fluoroethoxy)-4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 165114143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).