methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

C17H24N2O4 — CID 125143182

IUPACmethyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCOC(=O)[C@H](NCC(=O)NC(C)(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-14(20)10-18-15(16(21)22-4)12-5-6-13-11(9-12)7-8-23-13/h5-6,9,15,18H,7-8,10H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyRQCLJPLKCTXUMF-OAHLLOKOSA-N
MW320.39 g/mol
LogP1.34
Rot. Bonds5

About methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate

methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 125143182) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID125143182
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCOC(=O)[C@H](NCC(=O)NC(C)(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H24N2O4/c1-17(2,3)19-14(20)10-18-15(16(21)22-4)12-5-6-13-11(9-12)7-8-23-13/h5-6,9,15,18H,7-8,10H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyRQCLJPLKCTXUMF-OAHLLOKOSA-N
XLogP1.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate with MolForge

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Related Compounds

methyl 2-(3-azidopropylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 66190506
methyl (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3-methoxyphenyl)methylamino]acetate
CID 124621483
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]acetamide
CID 43754741
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900436
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171247194
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methyl]-3-methylbutanoate
CID 62394211
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoate;hydrochloride
CID 171240480
ethyl 2-(cyclopentylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 60997932
methyl 2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 166219000
3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-N',N'-dimethylpropanehydrazide
CID 116850062

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate (CID 125143182) is methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is COC(=O)[C@H](NCC(=O)NC(C)(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is RQCLJPLKCTXUMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)19-14(20)10-18-15(16(21)22-4)12-5-6-13-11(9-12)7-8-23-13/h5-6,9,15,18H,7-8,10H2,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 320.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 125143182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).