2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

C10H11N5O2 — CID 1212

IUPAC2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O2/c1-10(11,9(16)17)7-4-2-6(3-5-7)8-12-14-15-13-8/h2-5H,11H2,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOZBFBAYESADVDX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (PubChem CID 1212) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
PubChem CID1212
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O2/c1-10(11,9(16)17)7-4-2-6(3-5-7)8-12-14-15-13-8/h2-5H,11H2,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOZBFBAYESADVDX-UHFFFAOYSA-N
XLogP0.13
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (CID 1212) is 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is CC(N)(C(=O)O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The InChIKey is OZBFBAYESADVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-10(11,9(16)17)7-4-2-6(3-5-7)8-12-14-15-13-8/h2-5H,11H2,1H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 1212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).