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

C11H17N5O3S — CID 43074413

IUPACmethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H17N5O3S/c1-11(2,9(18)19-3)12-8(17)6-20-10-13-14-15-16(10)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,17)
InChIKeyPGMJGSKMIQLHPW-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.17
Rot. Bonds6

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

methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate (PubChem CID 43074413) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate
PubChem CID43074413
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Namemethyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H17N5O3S/c1-11(2,9(18)19-3)12-8(17)6-20-10-13-14-15-16(10)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,17)
InChIKeyPGMJGSKMIQLHPW-UHFFFAOYSA-N
XLogP0.17
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-tert-butyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 16383306
N-tert-butyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 17503465
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 17511584
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 17527254
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 17539040
Methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18098958
Methyl 3-methyl-2-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]pentanoate
CID 18099152
Methyl 2-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate
CID 18099258
N-tert-butyl-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-methylamino]acetamide
CID 24232179
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 25502690
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 25502693
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 25588606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate (CID 43074413) is methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate?
The InChIKey is PGMJGSKMIQLHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-11(2,9(18)19-3)12-8(17)6-20-10-13-14-15-16(10)7-4-5-7/h7H,4-6H2,1-3H3,(H,12,17).
What are the key properties of methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate?
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methylpropanoate has a molecular weight of 299.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 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]amino]-2-methylpropanoate is sourced from PubChem (CID 43074413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).