methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

C12H21NO5 — CID 10956274

IUPACmethyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC[C@@H](/C=C\C(=O)OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(15)13-9(8-16-4)6-7-10(14)17-5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6-/t9-/m1/s1
InChIKeyDRDNATPFUDQSSL-ATJFRQLMSA-N
MW259.30 g/mol
LogP1.26
Rot. Bonds5

About methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (PubChem CID 10956274) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
PubChem CID10956274
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCOC[C@@H](/C=C\C(=O)OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-12(2,3)18-11(15)13-9(8-16-4)6-7-10(14)17-5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6-/t9-/m1/s1
InChIKeyDRDNATPFUDQSSL-ATJFRQLMSA-N
XLogP1.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The IUPAC name of methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (CID 10956274) is methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.
What is the SMILES notation for methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The canonical SMILES for methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is COC[C@@H](/C=C\C(=O)OC)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The InChIKey is DRDNATPFUDQSSL-ATJFRQLMSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)18-11(15)13-9(8-16-4)6-7-10(14)17-5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6-/t9-/m1/s1.
What are the key properties of methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate has a molecular weight of 259.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is sourced from PubChem (CID 10956274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).