tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate

C13H23NO3 — CID 141129683

IUPACtert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCCOC[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO3/c1-5-16-9-10-6-7-11(8-10)14-12(15)17-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyLJFWGOCTKQZPIU-WDEREUQCSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds4

About tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 141129683) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID141129683
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate
SMILESCCOC[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO3/c1-5-16-9-10-6-7-11(8-10)14-12(15)17-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyLJFWGOCTKQZPIU-WDEREUQCSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
CID 102483030
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 70805737
methyl (1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 86313516
2-(acetylsulfanylmethyl)-3-[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl]propanoic acid
CID 141030528
tert-butyl N-[(1S,4R)-4-[[(5-cyano-2-pyridinyl)amino]methyl]cyclopent-2-en-1-yl]carbamate
CID 69483781
1-O-methyl 3-O-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] propanedioate
CID 75084301
tert-butyl N-[(1R,4S)-4-(pyridin-2-ylsulfanylmethyl)cyclopent-2-en-1-yl]carbamate
CID 69483411
tert-butyl N-[(1S,4R)-4-(2-methylprop-2-enoyl)cyclopent-2-en-1-yl]carbamate
CID 89271681
tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
tert-butyl N-[(1S,4R)-4-[hydroxy(methylsulfonyl)methyl]cyclopent-2-en-1-yl]carbamate
CID 71163238
ethyl (1S,2R,5S)-2-hydroxy-2-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 24808704
tert-butyl N-[4-(benzylamino)cyclohex-2-en-1-yl]carbamate
CID 130003473

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate (CID 141129683) is tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate is CCOC[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is LJFWGOCTKQZPIU-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-16-9-10-6-7-11(8-10)14-12(15)17-13(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 141129683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).