2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid

C14H13N5O2 — CID 66040593

IUPAC2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccc2ncccc2c1
InChIInChI=1S/C14H13N5O2/c1-14(2,13(20)21)19-12(16-17-18-19)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,20,21)
InChIKeyOHKKUYIOMHTTMQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.71
Rot. Bonds3

About 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid

2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid (PubChem CID 66040593) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
PubChem CID66040593
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccc2ncccc2c1
InChIInChI=1S/C14H13N5O2/c1-14(2,13(20)21)19-12(16-17-18-19)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,20,21)
InChIKeyOHKKUYIOMHTTMQ-UHFFFAOYSA-N
XLogP1.71
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-isoquinolin-1-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66042998
6-(3-methylphenyl)quinoline
CID 4185278
ethane;quinoline-6-carboxylic acid
CID 91364452
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 79791029
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
4-methyl-6-quinolin-6-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171687141
5-quinolin-6-ylthiophene-3-carboxylic acid
CID 81224740
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid
CID 79788961
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid (CID 66040593) is 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid?
The InChIKey is OHKKUYIOMHTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-14(2,13(20)21)19-12(16-17-18-19)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid has a molecular weight of 283.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66040593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).