ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate

C11H19N5O2S — CID 63033246

IUPACethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCSc1nnnn1C1CC1)NC
InChIInChI=1S/C11H19N5O2S/c1-3-18-10(17)9(12-2)6-7-19-11-13-14-15-16(11)8-4-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYRZRZGKYMZHMCQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.64
Rot. Bonds8

About ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate

ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate (PubChem CID 63033246) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
PubChem CID63033246
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Nameethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCSc1nnnn1C1CC1)NC
InChIInChI=1S/C11H19N5O2S/c1-3-18-10(17)9(12-2)6-7-19-11-13-14-15-16(11)8-4-5-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYRZRZGKYMZHMCQ-UHFFFAOYSA-N
XLogP0.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoic acid
CID 63033610
1-cyclopropyl-5-(3,3-diethoxypropylsulfanyl)tetrazole
CID 63628121
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylhexan-2-amine
CID 64649345
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
1-(1-cyclopropyltetrazol-5-yl)sulfanylpentan-2-amine
CID 64649342
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
ethyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylbutanoate
CID 60693245

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate (CID 63033246) is ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate is CCOC(=O)C(CCSc1nnnn1C1CC1)NC.
What is the InChIKey of ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate?
The InChIKey is YRZRZGKYMZHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-3-18-10(17)9(12-2)6-7-19-11-13-14-15-16(11)8-4-5-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate?
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate has a molecular weight of 285.37 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate is sourced from PubChem (CID 63033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).