2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid

C15H20N4O2 — CID 84759126

IUPAC2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(Cc1ccccc1)c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C15H20N4O2/c1-14(2,10-11-8-6-5-7-9-11)12-16-17-18-19(12)15(3,4)13(20)21/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyGYNCPRMJAQFDPW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.01
Rot. Bonds5

About 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 84759126) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID84759126
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(C)(Cc1ccccc1)c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C15H20N4O2/c1-14(2,10-11-8-6-5-7-9-11)12-16-17-18-19(12)15(3,4)13(20)21/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeyGYNCPRMJAQFDPW-UHFFFAOYSA-N
XLogP2.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]propanoic acid
CID 79660294
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-(5-isoquinolin-1-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66042998
2-methyl-2-[5-(thiophen-3-ylmethyl)tetrazol-1-yl]propanoic acid
CID 66041995
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
CID 75503014
2-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66395987
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043608
(2S)-2-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-phenylethyl]pentanoic acid
CID 118499914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid (CID 84759126) is 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid is CC(C)(Cc1ccccc1)c1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is GYNCPRMJAQFDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-14(2,10-11-8-6-5-7-9-11)12-16-17-18-19(12)15(3,4)13(20)21/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(2-methyl-1-phenylpropan-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 84759126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).