3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid

C13H16N4O3 — CID 167284091

IUPAC3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid
SMILESCC(C)OC(Cc1ccccc1)(C(=O)O)c1nn[nH]n1
InChIInChI=1S/C13H16N4O3/c1-9(2)20-13(12(18)19,11-14-16-17-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyFVCYHMAFNAWDMV-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.15
Rot. Bonds6

About 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid

3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid (PubChem CID 167284091) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid
PubChem CID167284091
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid
SMILESCC(C)OC(Cc1ccccc1)(C(=O)O)c1nn[nH]n1
InChIInChI=1S/C13H16N4O3/c1-9(2)20-13(12(18)19,11-14-16-17-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyFVCYHMAFNAWDMV-UHFFFAOYSA-N
XLogP1.15
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
CID 54416981
2-methyl-3-phenyl-2-propan-2-yloxypropanamide
CID 142432674
3-(2-formyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]-2-(2H-tetrazol-5-yl)propanoic acid
CID 135194218
(2S)-2-[(2R,3R,4R)-4-(6-amino-2-methoxypurin-9-yl)-3,4-dihydroxy-2-methoxybutoxy]-3-phenyl-2-(2H-tetrazol-5-yl)propanoic acid
CID 135197424
3-bromo-2-propan-2-yl-2-pyridin-2-yl-3-(2H-tetrazol-5-yl)butanoic acid
CID 140792517
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene
CID 156811529
N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide
CID 110192441
2-[(2-methylpropan-2-yl)oxy]-3-phenyl-2-(1H-pyrazol-5-yl)propanoic acid
CID 166028149
2-hydroperoxy-4-methyl-1,2-diphenylpentan-3-one
CID 71443265
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
benzyl N-[(1S)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propyl]carbamate
CID 57463446
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid?
The IUPAC name of 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid (CID 167284091) is 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid is CC(C)OC(Cc1ccccc1)(C(=O)O)c1nn[nH]n1.
What is the InChIKey of 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid?
The InChIKey is FVCYHMAFNAWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9(2)20-13(12(18)19,11-14-16-17-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,14,15,16,17).
What are the key properties of 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid?
3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid has a molecular weight of 276.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid is sourced from PubChem (CID 167284091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).