methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate

C10H15N5O4S — CID 43422824

IUPACmethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O4S/c1-19-9(18)7(4-16)11-8(17)5-20-10-12-13-14-15(10)6-2-3-6/h6-7,16H,2-5H2,1H3,(H,11,17)
InChIKeyFVLGPDLTRDZIQB-UHFFFAOYSA-N
MW301.33 g/mol
LogP-1.25
Rot. Bonds7

About methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate

methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate (PubChem CID 43422824) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
PubChem CID43422824
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O4S/c1-19-9(18)7(4-16)11-8(17)5-20-10-12-13-14-15(10)6-2-3-6/h6-7,16H,2-5H2,1H3,(H,11,17)
InChIKeyFVLGPDLTRDZIQB-UHFFFAOYSA-N
XLogP-1.25
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 25437754
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884717
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107842
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 51560897

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate (CID 43422824) is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate?
The InChIKey is FVLGPDLTRDZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-19-9(18)7(4-16)11-8(17)5-20-10-12-13-14-15(10)6-2-3-6/h6-7,16H,2-5H2,1H3,(H,11,17).
What are the key properties of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate?
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate has a molecular weight of 301.33 g/mol, XLogP of -1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 43422824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).