methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium

C10H16NO4Y- — CID 58929464

IUPACmethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium
SMILESCOC(=O)/C=C/[CH-]NC(=O)OC(C)(C)C.[Y]
InChIInChI=1S/C10H16NO4.Y/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4;/h5-7H,1-4H3,(H,11,13);/q-1;/b6-5+;
InChIKeyHBSGOVVVUQHIOH-IPZCTEOASA-N
MW303.15 g/mol
LogP1.40
Rot. Bonds3

About methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium

methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium (PubChem CID 58929464) has the molecular formula C10H16NO4Y- and a molecular weight of 303.15 g/mol. Its IUPAC name is methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium.

Molecular Properties

Compound Namemethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium
PubChem CID58929464
Molecular FormulaC10H16NO4Y-
Molecular Weight303.15 g/mol
Exact Mass303.01
IUPAC Namemethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium
SMILESCOC(=O)/C=C/[CH-]NC(=O)OC(C)(C)C.[Y]
InChIInChI=1S/C10H16NO4.Y/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4;/h5-7H,1-4H3,(H,11,13);/q-1;/b6-5+;
InChIKeyHBSGOVVVUQHIOH-IPZCTEOASA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium?
The IUPAC name of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium (CID 58929464) is methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium.
What is the SMILES notation for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium?
The canonical SMILES for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium is COC(=O)/C=C/[CH-]NC(=O)OC(C)(C)C.[Y].
What is the InChIKey of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium?
The InChIKey is HBSGOVVVUQHIOH-IPZCTEOASA-N. The full InChI is InChI=1S/C10H16NO4.Y/c1-10(2,3)15-9(13)11-7-5-6-8(12)14-4;/h5-7H,1-4H3,(H,11,13);/q-1;/b6-5+;.
What are the key properties of methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium?
methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium has a molecular weight of 303.15 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate;yttrium is sourced from PubChem (CID 58929464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).