3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid

C10H15N5O4S — CID 106107842

IUPAC3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O4S/c1-19-7(9(17)18)4-11-8(16)5-20-10-12-13-14-15(10)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyNSUMPZMTVYJXDJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP-0.68
Rot. Bonds8

About 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid

3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid (PubChem CID 106107842) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
PubChem CID106107842
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CSc1nnnn1C1CC1)C(=O)O
InChIInChI=1S/C10H15N5O4S/c1-19-7(9(17)18)4-11-8(16)5-20-10-12-13-14-15(10)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18)
InChIKeyNSUMPZMTVYJXDJ-UHFFFAOYSA-N
XLogP-0.68
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 27096512
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
methyl 4-[[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate
CID 27094020
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid (CID 106107842) is 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)CSc1nnnn1C1CC1)C(=O)O.
What is the InChIKey of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid?
The InChIKey is NSUMPZMTVYJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-19-7(9(17)18)4-11-8(16)5-20-10-12-13-14-15(10)6-2-3-6/h6-7H,2-5H2,1H3,(H,11,16)(H,17,18).
What are the key properties of 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid?
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid has a molecular weight of 301.33 g/mol, XLogP of -0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).