methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate

C14H23NO4 — CID 59833554

IUPACmethyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
SMILESCC[C@]1(C(=O)OC)C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO4/c1-6-14(11(16)18-5)8-7-10(9-14)15-12(17)19-13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,15,17)/t10-,14+/m1/s1
InChIKeySWURNCCNSVSRMT-YGRLFVJLSA-N
MW269.34 g/mol
LogP2.41
Rot. Bonds3

About methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate

methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate (PubChem CID 59833554) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
PubChem CID59833554
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
SMILESCC[C@]1(C(=O)OC)C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO4/c1-6-14(11(16)18-5)8-7-10(9-14)15-12(17)19-13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,15,17)/t10-,14+/m1/s1
InChIKeySWURNCCNSVSRMT-YGRLFVJLSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.41
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 (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate (CID 59833554) is methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate is CC[C@]1(C(=O)OC)C=C[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The InChIKey is SWURNCCNSVSRMT-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H23NO4/c1-6-14(11(16)18-5)8-7-10(9-14)15-12(17)19-13(2,3)4/h7-8,10H,6,9H2,1-5H3,(H,15,17)/t10-,14+/m1/s1.
What are the key properties of methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4S)-1-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 59833554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).