methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate

C17H23N5O2 — CID 126828814

IUPACmethyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate
SMILESCOC(=O)CC1Cc2ccccc2N1Cc1nnnn1C(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-17(2,3)22-15(18-19-20-22)11-21-13(10-16(23)24-4)9-12-7-5-6-8-14(12)21/h5-8,13H,9-11H2,1-4H3
InChIKeyVAZMDXOUPWDRFB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.92
Rot. Bonds4

About methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate

methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate (PubChem CID 126828814) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate
PubChem CID126828814
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Namemethyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate
SMILESCOC(=O)CC1Cc2ccccc2N1Cc1nnnn1C(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-17(2,3)22-15(18-19-20-22)11-21-13(10-16(23)24-4)9-12-7-5-6-8-14(12)21/h5-8,13H,9-11H2,1-4H3
InChIKeyVAZMDXOUPWDRFB-UHFFFAOYSA-N
XLogP1.92
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate (CID 126828814) is methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate is COC(=O)CC1Cc2ccccc2N1Cc1nnnn1C(C)(C)C.
What is the InChIKey of methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate?
The InChIKey is VAZMDXOUPWDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)22-15(18-19-20-22)11-21-13(10-16(23)24-4)9-12-7-5-6-8-14(12)21/h5-8,13H,9-11H2,1-4H3.
What are the key properties of methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate?
methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate has a molecular weight of 329.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(1-tert-butyltetrazol-5-yl)methyl]-2,3-dihydroindol-2-yl]acetate is sourced from PubChem (CID 126828814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).