[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate

C12H19NO4 — CID 11085919

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

About [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate

[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate (PubChem CID 11085919) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate
PubChem CID11085919
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate
SMILESCC(=O)O[C@@H]1CC=C[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-8(14)16-10-7-5-6-9(10)13-11(15)17-12(2,3)4/h5-6,9-10H,7H2,1-4H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyRLBXSMQXBACGBJ-NXEZZACHSA-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

(1R,4S)-Acetic acid 4-tert-butoxycarbonylamino-cyclopent-2-enyl ester
CID 11333942
(S)-2-Tert-butoxycarbonylamino-pent-3-enoic acid ethyl ester
CID 10105834
tert-butyl N-[(E,3S,4R)-3,8-dihydroxyoct-5-en-4-yl]carbamate
CID 11184515
[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-3-enyl] acetate
CID 16046442
ethyl (2S,3E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hepta-3,6-dienoate
CID 16752890
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate
CID 51041485
[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
CID 134869384
[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
CID 134869494
ethyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate
CID 135006625
ethyl (E,2S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate
CID 135007038
(3S,4S)-3-((tert-butoxycarbonyl)amino)hepta-1,6-dien-4-yl acetate
CID 164511129
(1S,4R)-Acetic acid 4-tert-butoxycarbonylamino-cyclopent-2-enyl ester
CID 10776473

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate?
The IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate (CID 11085919) is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate.
What is the SMILES notation for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate?
The canonical SMILES for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate is CC(=O)O[C@@H]1CC=C[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate?
The InChIKey is RLBXSMQXBACGBJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)16-10-7-5-6-9(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,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate?
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-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,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-en-1-yl] acetate is sourced from PubChem (CID 11085919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).