methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate

C11H19N5O3S — CID 18201246

IUPACmethyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)CSc1nnnn1C)C(=O)OC
InChIInChI=1S/C11H19N5O3S/c1-5-7(2)9(10(18)19-4)12-8(17)6-20-11-13-14-15-16(11)3/h7,9H,5-6H2,1-4H3,(H,12,17)
InChIKeyGLIBOGCQJLOEHM-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.01
Rot. Bonds7

About methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate

methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate (PubChem CID 18201246) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate
PubChem CID18201246
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Namemethyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)CSc1nnnn1C)C(=O)OC
InChIInChI=1S/C11H19N5O3S/c1-5-7(2)9(10(18)19-4)12-8(17)6-20-11-13-14-15-16(11)3/h7,9H,5-6H2,1-4H3,(H,12,17)
InChIKeyGLIBOGCQJLOEHM-UHFFFAOYSA-N
XLogP0.01
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate (CID 18201246) is methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate is CCC(C)C(NC(=O)CSc1nnnn1C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate?
The InChIKey is GLIBOGCQJLOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-5-7(2)9(10(18)19-4)12-8(17)6-20-11-13-14-15-16(11)3/h7,9H,5-6H2,1-4H3,(H,12,17).
What are the key properties of methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate?
methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate has a molecular weight of 301.37 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate is sourced from PubChem (CID 18201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).