(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid

C10H10N4O3 — CID 7026167

IUPAC(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)O
InChIInChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-3-8(5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyGXJLZCCLIHGQPW-ZETCQYMHSA-N
MW234.22 g/mol
LogP0.51
Rot. Bonds4

About (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid

(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid (PubChem CID 7026167) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
PubChem CID7026167
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)O
InChIInChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-3-8(5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyGXJLZCCLIHGQPW-ZETCQYMHSA-N
XLogP0.51
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
(2R)-N-benzyl-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705756
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 30825028
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 55071612
[3-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate
CID 4822212

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid (CID 7026167) is (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid is C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
The InChIKey is GXJLZCCLIHGQPW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-3-8(5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid?
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 7026167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).