ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate

C13H24N2O5 — CID 19753809

IUPACethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-6-19-11(17)9-14-10(16)7-8-15(5)12(18)20-13(2,3)4/h6-9H2,1-5H3,(H,14,16)
InChIKeyCYTYLXUKMHJXIE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.92
Rot. Bonds6

About ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate

ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate (PubChem CID 19753809) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
PubChem CID19753809
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-6-19-11(17)9-14-10(16)7-8-15(5)12(18)20-13(2,3)4/h6-9H2,1-5H3,(H,14,16)
InChIKeyCYTYLXUKMHJXIE-UHFFFAOYSA-N
XLogP0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-oxobutanoic acid
CID 86615121
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
ethyl 2-(pentanoylamino)acetate
CID 4279931
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
ethyl 4-[N-ethyl-N'-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163739
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate?
The IUPAC name of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate (CID 19753809) is ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate.
What is the SMILES notation for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate?
The canonical SMILES for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate is CCOC(=O)CNC(=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate?
The InChIKey is CYTYLXUKMHJXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-6-19-11(17)9-14-10(16)7-8-15(5)12(18)20-13(2,3)4/h6-9H2,1-5H3,(H,14,16).
What are the key properties of ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate?
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate is sourced from PubChem (CID 19753809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).