3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid

C12H14N4O3 — CID 55071612

IUPAC3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
SMILESCC(C(=O)O)C(C)(O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H14N4O3/c1-8(11(17)18)12(2,19)9-4-3-5-10(6-9)16-7-13-14-15-16/h3-8,19H,1-2H3,(H,17,18)
InChIKeyOGSSBSRRGLKHFH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.59
Rot. Bonds4

About 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid

3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid (PubChem CID 55071612) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
PubChem CID55071612
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
SMILESCC(C(=O)O)C(C)(O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H14N4O3/c1-8(11(17)18)12(2,19)9-4-3-5-10(6-9)16-7-13-14-15-16/h3-8,19H,1-2H3,(H,17,18)
InChIKeyOGSSBSRRGLKHFH-UHFFFAOYSA-N
XLogP0.59
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 79367442
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61237433
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62225652
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61024143
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
ethyl 3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoate
CID 62393971
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 30825028
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid (CID 55071612) is 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid is CC(C(=O)O)C(C)(O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
The InChIKey is OGSSBSRRGLKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(11(17)18)12(2,19)9-4-3-5-10(6-9)16-7-13-14-15-16/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid?
3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 55071612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).