methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate

C11H17N5O2S — CID 63918063

IUPACmethyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)C(N)(CSc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C11H17N5O2S/c1-18-9(17)11(12,7-2-3-7)6-19-10-13-14-15-16(10)8-4-5-8/h7-8H,2-6,12H2,1H3
InChIKeyMVAKDLVHZQNFFI-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.38
Rot. Bonds6

About methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate

methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate (PubChem CID 63918063) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
PubChem CID63918063
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)C(N)(CSc1nnnn1C1CC1)C1CC1
InChIInChI=1S/C11H17N5O2S/c1-18-9(17)11(12,7-2-3-7)6-19-10-13-14-15-16(10)8-4-5-8/h7-8H,2-6,12H2,1H3
InChIKeyMVAKDLVHZQNFFI-UHFFFAOYSA-N
XLogP0.38
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79630021
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609
1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,3-dimethylbutan-2-one
CID 43231239
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
methyl 2-amino-2-cyclopropyl-3-(4-methylphenyl)sulfanylpropanoate
CID 63917659
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
methyl 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 26388915
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethylbut-2-enoate
CID 77100815

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate (CID 63918063) is methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate is COC(=O)C(N)(CSc1nnnn1C1CC1)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate?
The InChIKey is MVAKDLVHZQNFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-18-9(17)11(12,7-2-3-7)6-19-10-13-14-15-16(10)8-4-5-8/h7-8H,2-6,12H2,1H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate?
methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate has a molecular weight of 283.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate is sourced from PubChem (CID 63918063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).