2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid

C13H13N5O2 — CID 107043934

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
SMILESCn1nnc(Cn2cc(CC(=O)O)c3ccccc32)n1
InChIInChI=1S/C13H13N5O2/c1-17-15-12(14-16-17)8-18-7-9(6-13(19)20)10-4-2-3-5-11(10)18/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyDFXKWFGADLGDAO-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.84
Rot. Bonds4

About 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid

2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid (PubChem CID 107043934) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
PubChem CID107043934
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
SMILESCn1nnc(Cn2cc(CC(=O)O)c3ccccc32)n1
InChIInChI=1S/C13H13N5O2/c1-17-15-12(14-16-17)8-18-7-9(6-13(19)20)10-4-2-3-5-11(10)18/h2-5,7H,6,8H2,1H3,(H,19,20)
InChIKeyDFXKWFGADLGDAO-UHFFFAOYSA-N
XLogP0.84
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
CID 28783031
2-[1-(pyridin-4-ylmethyl)indol-3-yl]acetic acid
CID 22071716
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
(2S)-2-amino-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid
CID 130476414
2-[1-(3-methylbut-2-enyl)indol-3-yl]acetic acid
CID 28599761
2-[1-[(2-methyltetrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461559
2-[1-(furan-3-ylmethyl)indol-3-yl]acetic acid
CID 83171441
2-(1-but-3-ynylindol-3-yl)acetic acid
CID 63655086
4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
CID 107054442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid (CID 107043934) is 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid is Cn1nnc(Cn2cc(CC(=O)O)c3ccccc32)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid?
The InChIKey is DFXKWFGADLGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-17-15-12(14-16-17)8-18-7-9(6-13(19)20)10-4-2-3-5-11(10)18/h2-5,7H,6,8H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid?
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid has a molecular weight of 271.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 107043934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).