methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate

C15H25NO4 — CID 70889147

IUPACmethyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(C(C)C)C=CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-10(2)15(12(17)19-6)8-7-11(9-15)16-13(18)20-14(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,16,18)/t11?,15-/m0/s1
InChIKeyRLZMMJZCRLNHGF-MHTVFEQDSA-N
MW283.37 g/mol
LogP2.65
Rot. Bonds3

About methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate

methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate (PubChem CID 70889147) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate
PubChem CID70889147
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(C(C)C)C=CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO4/c1-10(2)15(12(17)19-6)8-7-11(9-15)16-13(18)20-14(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,16,18)/t11?,15-/m0/s1
InChIKeyRLZMMJZCRLNHGF-MHTVFEQDSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate (CID 70889147) is methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate is COC(=O)[C@@]1(C(C)C)C=CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate?
The InChIKey is RLZMMJZCRLNHGF-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)15(12(17)19-6)8-7-11(9-15)16-13(18)20-14(3,4)5/h7-8,10-11H,9H2,1-6H3,(H,16,18)/t11?,15-/m0/s1.
What are the key properties of methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate?
methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 70889147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).