[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate

C12H19NO4 — CID 11333942

IUPAC[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h5-6,9-10H,7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyKSRJRUTXLAQMEK-ZJUUUORDSA-N
MW241.29 g/mol
LogP1.77
Rot. Bonds2

About [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate (PubChem CID 11333942) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate
PubChem CID11333942
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h5-6,9-10H,7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyKSRJRUTXLAQMEK-ZJUUUORDSA-N
XLogP1.77
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 ≤ 51.77
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

1-O-methyl 3-O-[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] propanedioate
CID 44825469
(1S,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-enyl 2,2,2-trifluoroethyl malonate
CID 44254736
(1R,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-enyl 2,2,2-trifluoroethyl malonate
CID 44825460
(e)-Ethyl 4-(t-butoxycarbonylamino)-6-methylhept-2-enoate
CID 5365141
Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoate
CID 10243501
Ethyl (2E)-4-[(tert-butoxycarbonyl)amino]-6-methyl-2-heptenoate
CID 13713645
Boc-dgV-OEt
CID 10084564
Tert-butyl ((1S,4R)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 10856477
ethyl (E,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 134863933
(1S,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-enyl 3-oxobutanoate
CID 51358814
ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 5365175
ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 23661316

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate (CID 11333942) is [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate?
The InChIKey is KSRJRUTXLAQMEK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h5-6,9-10H,7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate has a molecular weight of 241.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 11333942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).