2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid

C11H12N6O4 — CID 63771362

IUPAC2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H12N6O4/c18-10(19)6-21-8-3-1-7(2-4-8)13-11(20)12-5-9-14-16-17-15-9/h1-4H,5-6H2,(H,18,19)(H2,12,13,20)(H,14,15,16,17)
InChIKeyXEQVFBJBENGTGT-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.02
Rot. Bonds6

About 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid

2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63771362) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63771362
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H12N6O4/c18-10(19)6-21-8-3-1-7(2-4-8)13-11(20)12-5-9-14-16-17-15-9/h1-4H,5-6H2,(H,18,19)(H2,12,13,20)(H,14,15,16,17)
InChIKeyXEQVFBJBENGTGT-UHFFFAOYSA-N
XLogP-0.02
TPSA142.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(2H-tetrazol-5-ylmethylcarbamoylamino)benzoic acid
CID 115296846
2-fluoro-4-(2H-tetrazol-5-ylmethylcarbamoylamino)benzoic acid
CID 107796218
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
methane;2-[4-[[4-(2H-tetrazol-5-yl)anilino]methyl]phenoxy]acetic acid
CID 161066134
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
3,5-dichloro-4-(2H-tetrazol-5-ylmethylcarbamoylamino)benzoic acid
CID 82811352
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-(4-benzamidophenoxy)acetic acid
CID 3830392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid (CID 63771362) is 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)NCc2nn[nH]n2)cc1.
What is the InChIKey of 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is XEQVFBJBENGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c18-10(19)6-21-8-3-1-7(2-4-8)13-11(20)12-5-9-14-16-17-15-9/h1-4H,5-6H2,(H,18,19)(H2,12,13,20)(H,14,15,16,17).
What are the key properties of 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid?
2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 292.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-ylmethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63771362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).