methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate

C12H19NO4 — CID 15451176

IUPACmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyHKLDTKMTZPXEAZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.63
Rot. Bonds2

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

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate (PubChem CID 15451176) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
PubChem CID15451176
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyHKLDTKMTZPXEAZ-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid
CID 7019283
(1R,4R)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid
CID 7168126
methyl (1S,4R)-4-(((tert-butoxy)carbonyl)amino)cyclopent-2-ene-1-carboxylate
CID 9964776
(1S,5S)-5-{[(tert-butoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylic acid
CID 24720905
(1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid
CID 7019281
(1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
CID 361509
Methyl 4-acetamidocyclopent-2-ene-1-carboxylate
CID 494467
rac-(1R,5S)-5-(((tert-butoxy)carbonyl)amino)cyclohex-3-ene-1-carboxylic acid
CID 124203333
(1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CID 10610130
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 10966734
(S,E)-5-(tert-Butoxycarbonylamino)-7-methyloct-3-enoic acid
CID 18603236
(-)-Ethyl cis-4-tert-butoxycarbonylamino-2-cyclopentene-1-carboxylate
CID 57006421

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate (CID 15451176) is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate is COC(=O)C1C=CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
The InChIKey is HKLDTKMTZPXEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5-6,8-9H,7H2,1-4H3,(H,13,15).
What are the key properties of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate?
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 15451176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).