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

C10H10N4O3 — CID 61237433

IUPAC2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
SMILESCC(O)(C(=O)O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c1-10(17,9(15)16)7-3-2-4-8(5-7)14-6-11-12-13-14/h2-6,17H,1H3,(H,15,16)
InChIKeyBDYULSZJKHSFFP-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.05
Rot. Bonds3

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

2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid (PubChem CID 61237433) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
PubChem CID61237433
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
SMILESCC(O)(C(=O)O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C10H10N4O3/c1-10(17,9(15)16)7-3-2-4-8(5-7)14-6-11-12-13-14/h2-6,17H,1H3,(H,15,16)
InChIKeyBDYULSZJKHSFFP-UHFFFAOYSA-N
XLogP-0.05
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62225652
3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 55071612
2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 79367442
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61024143
ethyl 3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoate
CID 62393971
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
3-(tetrazol-1-yl)benzenesulfinic acid
CID 114287193
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
[3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzenesulfonate
CID 26942777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid (CID 61237433) is 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid is CC(O)(C(=O)O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The InChIKey is BDYULSZJKHSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-10(17,9(15)16)7-3-2-4-8(5-7)14-6-11-12-13-14/h2-6,17H,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 61237433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).