methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate

C16H26N2O5 — CID 10592229

IUPACmethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)C(=O)CN(/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O5/c1-7-9-17(12-14(20)22-6)13(19)11-18(10-8-2)15(21)23-16(3,4)5/h7-8,10H,1,9,11-12H2,2-6H3/b10-8+
InChIKeyDRNNTYILVUYVRQ-CSKARUKUSA-N
MW326.39 g/mol
LogP1.94
Rot. Bonds7

About methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate

methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate (PubChem CID 10592229) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate
PubChem CID10592229
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)C(=O)CN(/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O5/c1-7-9-17(12-14(20)22-6)13(19)11-18(10-8-2)15(21)23-16(3,4)5/h7-8,10H,1,9,11-12H2,2-6H3/b10-8+
InChIKeyDRNNTYILVUYVRQ-CSKARUKUSA-N
XLogP1.94
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate with MolForge

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Related Compounds

methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660
tert-butyl N-prop-1-enyl-N-propylcarbamate
CID 90845357
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
methyl 2-[[(2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-prop-2-enylamino]acetate
CID 87350508
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
CID 86195236
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate?
The IUPAC name of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate (CID 10592229) is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OC)C(=O)CN(/C=C/C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate?
The InChIKey is DRNNTYILVUYVRQ-CSKARUKUSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-7-9-17(12-14(20)22-6)13(19)11-18(10-8-2)15(21)23-16(3,4)5/h7-8,10H,1,9,11-12H2,2-6H3/b10-8+.
What are the key properties of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate?
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate has a molecular weight of 326.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 10592229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).