ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate

C17H28N2O5 — CID 10593261

IUPACethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O5/c1-7-10-18(13-15(21)23-9-3)14(20)12-19(11-8-2)16(22)24-17(4,5)6/h7-8H,1-2,9-13H2,3-6H3
InChIKeyZOOFPQVKOLJEDT-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.99
Rot. Bonds9

About ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate

ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate (PubChem CID 10593261) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
PubChem CID10593261
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)CN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O5/c1-7-10-18(13-15(21)23-9-3)14(20)12-19(11-8-2)16(22)24-17(4,5)6/h7-8H,1-2,9-13H2,3-6H3
InChIKeyZOOFPQVKOLJEDT-UHFFFAOYSA-N
XLogP1.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(allyl(tert-butoxycarbonyl)amino)acetate
CID 10681689
tert-butyl (2S,6Z)-4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxylate
CID 11449789
Boc-N(allyl)Ala-N(allyl)Gly-OMe
CID 11772180
Sarcosylsarcosine, N-allyloxycarbonyl-, ethyl ester
CID 6422701
Sarcosylsarcosine, N-allyloxycarbonyl-, butyl ester
CID 6422702
Sarcosylsarcosine, N-allyloxycarbonyl-, allyl ester
CID 6422704
Sarcosylsarcosine, N-allyloxycarbonyl-, propyl ester
CID 6422717
N-Boc-allylglycine methyl ester
CID 22243128
{[2-(Tert-butoxycarbonyl-methyl-amino)acetyl]-methyl-amino}-acetic acid ethyl ester
CID 57470192
Tert-butyl 2-[4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-prop-2-enoyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 58173682
Ethyl 2-[4,10-bis(2-ethoxy-2-oxoethyl)-7-prop-2-enoyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 58173696
Ethyl 2-[[2-[[2-[bis(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 59714900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate (CID 10593261) is ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)CN(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate?
The InChIKey is ZOOFPQVKOLJEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-7-10-18(13-15(21)23-9-3)14(20)12-19(11-8-2)16(22)24-17(4,5)6/h7-8H,1-2,9-13H2,3-6H3.
What are the key properties of ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate has a molecular weight of 340.42 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 10593261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).