ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate

C15H25N3O6 — CID 143925325

IUPACethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)OCC
InChIInChI=1S/C15H25N3O6/c1-7-23-12(20)9-18(6)13(21)10(2)17-11(19)8-16-14(22)24-15(3,4)5/h2,7-9H2,1,3-6H3,(H,16,22)(H,17,19)
InChIKeyZIIKJNPVYUKLAN-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.16
Rot. Bonds7

About ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate

ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate (PubChem CID 143925325) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate
PubChem CID143925325
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC Nameethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate
SMILESC=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)OCC
InChIInChI=1S/C15H25N3O6/c1-7-23-12(20)9-18(6)13(21)10(2)17-11(19)8-16-14(22)24-15(3,4)5/h2,7-9H2,1,3-6H3,(H,16,22)(H,17,19)
InChIKeyZIIKJNPVYUKLAN-UHFFFAOYSA-N
XLogP0.16
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate (CID 143925325) is ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate is C=C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate?
The InChIKey is ZIIKJNPVYUKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O6/c1-7-23-12(20)9-18(6)13(21)10(2)17-11(19)8-16-14(22)24-15(3,4)5/h2,7-9H2,1,3-6H3,(H,16,22)(H,17,19).
What are the key properties of ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate?
ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate has a molecular weight of 343.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]prop-2-enoyl]amino]acetate is sourced from PubChem (CID 143925325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).