tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate

C11H20N4O2 — CID 142311236

IUPACtert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate
SMILESCC(C)[C@@H](CC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H20N4O2/c1-7(2)8(10-12-14-15-13-10)6-9(16)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1
InChIKeyIRSZLAAXBAAKIY-MRVPVSSYSA-N
MW240.31 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate

tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate (PubChem CID 142311236) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate
PubChem CID142311236
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nametert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate
SMILESCC(C)[C@@H](CC(=O)OC(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H20N4O2/c1-7(2)8(10-12-14-15-13-10)6-9(16)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1
InChIKeyIRSZLAAXBAAKIY-MRVPVSSYSA-N
XLogP1.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,3S)-4-(4-bromophenyl)-2-propan-2-yl-3-(2H-tetrazol-5-yl)butanoate
CID 118500065
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
tert-butyl (2S)-2-amino-5-[[(1R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-1-(2H-tetrazol-5-yl)butyl]amino]-5-oxopentanoate
CID 10693015
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl 4-methyl-3-[5-[4-[4-[2-[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentanoate
CID 123634840
tert-butyl 2-[(1R)-2-(4-bromophenyl)-1-(2H-tetrazol-5-yl)ethyl]pentanoate
CID 129240244
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
tert-butyl (3R)-3-methylpentanoate
CID 158245009
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
CID 103389670
tert-butyl (3S)-3-(methoxymethyl)-4-methylpentanoate
CID 123336860

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate?
The IUPAC name of tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate (CID 142311236) is tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate.
What is the SMILES notation for tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate?
The canonical SMILES for tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate is CC(C)[C@@H](CC(=O)OC(C)(C)C)c1nn[nH]n1.
What is the InChIKey of tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate?
The InChIKey is IRSZLAAXBAAKIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(2)8(10-12-14-15-13-10)6-9(16)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13,14,15)/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate?
tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate has a molecular weight of 240.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-methyl-3-(2H-tetrazol-5-yl)pentanoate is sourced from PubChem (CID 142311236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).