[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate

C14H21NO4S — CID 94352559

IUPAC[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C14H21NO4S/c1-14(2,3)13(10-6-5-7-20-10)15-11(16)8-19-12(17)9-18-4/h5-7,13H,8-9H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyXVZCAQGOUOMHEL-CYBMUJFWSA-N
MW299.39 g/mol
LogP2.14
Rot. Bonds6

About [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate

[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 94352559) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
PubChem CID94352559
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N[C@H](c1cccs1)C(C)(C)C
InChIInChI=1S/C14H21NO4S/c1-14(2,3)13(10-6-5-7-20-10)15-11(16)8-19-12(17)9-18-4/h5-7,13H,8-9H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyXVZCAQGOUOMHEL-CYBMUJFWSA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate with MolForge

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Related Compounds

N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 94490347
2-(2,5-dimethoxyphenyl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 78887943
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 87001099
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
N-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55865333
3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide
CID 55778009
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55661677
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 87022154

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate (CID 94352559) is [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)N[C@H](c1cccs1)C(C)(C)C.
What is the InChIKey of [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is XVZCAQGOUOMHEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-14(2,3)13(10-6-5-7-20-10)15-11(16)8-19-12(17)9-18-4/h5-7,13H,8-9H2,1-4H3,(H,15,16)/t13-/m1/s1.
What are the key properties of [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate?
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 299.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 94352559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).