methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate

C10H15N5O3S — CID 43408862

IUPACmethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c1-14(5-9(17)18-2)8(16)6-19-10-11-12-13-15(10)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyDVUMTIXBXVPKLQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.27
Rot. Bonds6

About methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate

methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate (PubChem CID 43408862) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
PubChem CID43408862
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O3S/c1-14(5-9(17)18-2)8(16)6-19-10-11-12-13-15(10)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyDVUMTIXBXVPKLQ-UHFFFAOYSA-N
XLogP-0.27
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate (CID 43408862) is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate?
The InChIKey is DVUMTIXBXVPKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-14(5-9(17)18-2)8(16)6-19-10-11-12-13-15(10)7-3-4-7/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate?
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate has a molecular weight of 285.33 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetate is sourced from PubChem (CID 43408862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).