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

C10H11N5O2 — CID 66766693

IUPAC2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c1-6(10(16)17)11-8-4-2-7(3-5-8)9-12-14-15-13-9/h2-6,11H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOZJHYEMTOCHOAO-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.75
Rot. Bonds4

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

2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid (PubChem CID 66766693) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid
PubChem CID66766693
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)O
InChIInChI=1S/C10H11N5O2/c1-6(10(16)17)11-8-4-2-7(3-5-8)9-12-14-15-13-9/h2-6,11H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOZJHYEMTOCHOAO-UHFFFAOYSA-N
XLogP0.75
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Acitazanolast
CID 2006
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
Acitazanolast Hydrate
CID 11954321
CID 73265299
CID 73265299
4-Amidinophenyl-alanine
CID 54030870
3-[5-(4-Acetamidophenyl)tetrazol-2-yl]propanoic acid
CID 121002207
2-[5-[4-(Dimethylamino)phenyl]tetrazol-2-yl]acetic acid
CID 1146788
2-[5-(4-Aminophenyl)tetrazol-1-yl]acetic acid
CID 15007335
[4-(2H-tetrazol-5-yl)phenyl]carbamic acid
CID 18950804
N-methyl-4-(1H-tetrazol-5-yl)aniline
CID 22291261
N-propyl-4-(2H-tetrazol-5-yl)aniline
CID 23224649
N-ethyl-4-(2H-tetrazol-5-yl)aniline
CID 23224655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid?
The IUPAC name of 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid (CID 66766693) is 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid?
The canonical SMILES for 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid is CC(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid?
The InChIKey is OZJHYEMTOCHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6(10(16)17)11-8-4-2-7(3-5-8)9-12-14-15-13-9/h2-6,11H,1H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid?
2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-tetrazol-5-yl)anilino]propanoic acid is sourced from PubChem (CID 66766693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).