(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid

C10H10N4O2 — CID 124637262

IUPAC(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-7(10(15)16)8-2-4-9(5-3-8)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m1/s1
InChIKeyORGGHZMNEAOHDY-SSDOTTSWSA-N
MW218.22 g/mol
LogP0.85
Rot. Bonds3

About (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid

(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid (PubChem CID 124637262) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
PubChem CID124637262
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H10N4O2/c1-7(10(15)16)8-2-4-9(5-3-8)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m1/s1
InChIKeyORGGHZMNEAOHDY-SSDOTTSWSA-N
XLogP0.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
CID 4815617
(E)-3-(4-propan-2-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 26728883
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
4-(tetrazol-1-yl)benzohydrazide
CID 2114009

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid (CID 124637262) is (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid is C[C@@H](C(=O)O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid?
The InChIKey is ORGGHZMNEAOHDY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7(10(15)16)8-2-4-9(5-3-8)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid?
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 124637262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).