[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate

C19H29NO4 — CID 12000474

IUPAC[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate
SMILESC=CCCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](OC(=O)CC(=C)C)C1
InChIInChI=1S/C19H29NO4/c1-7-8-11-20(18(22)24-19(4,5)6)15-9-10-16(13-15)23-17(21)12-14(2)3/h7,9-10,15-16H,1-2,8,11-13H2,3-6H3/t15-,16+/m0/s1
InChIKeyICIIZZYLOGIIMB-JKSUJKDBSA-N
MW335.44 g/mol
LogP4.01
Rot. Bonds7

About [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate

[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate (PubChem CID 12000474) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate.

Molecular Properties

Compound Name[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate
PubChem CID12000474
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate
SMILESC=CCCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](OC(=O)CC(=C)C)C1
InChIInChI=1S/C19H29NO4/c1-7-8-11-20(18(22)24-19(4,5)6)15-9-10-16(13-15)23-17(21)12-14(2)3/h7,9-10,15-16H,1-2,8,11-13H2,3-6H3/t15-,16+/m0/s1
InChIKeyICIIZZYLOGIIMB-JKSUJKDBSA-N
XLogP4.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
CID 10973571
[(1S,4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 21027492
(1S-cis)-4-(di-tert-butoxycarbonylamino)cyclopent-2-enyl acetate
CID 69546006
[(1S)-4-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 87885201
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 144515499
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate;ethane
CID 144515505
3-O-tert-butyl 1-O-prop-2-enyl (2S)-2-methyl-2,5-dihydropyrrole-1,3-dicarboxylate
CID 145783141
tert-butyl 2-[(E)-2-ethoxycarbonylbut-1-enyl]pyrrolidine-1-carboxylate
CID 177238241
[(1R,4S)-4-[ethoxycarbonyl(3-hydroxypropyl)amino]cyclopent-2-en-1-yl] acetate
CID 11311772
tert-butyl (6R)-6-[[(2S)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12000519
1-O-tert-butyl 2-O-methyl (2S,5R)-5-[(Z)-1-ethoxy-1-oxopent-2-en-2-yl]-2,5-dihydropyrrole-1,2-dicarboxylate
CID 12966476
1-O-tert-butyl 2-O-methyl (2S,5R)-5-[(E)-1-ethoxy-1-oxopent-2-en-2-yl]-2,5-dihydropyrrole-1,2-dicarboxylate
CID 12966477

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate?
The IUPAC name of [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate (CID 12000474) is [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate.
What is the SMILES notation for [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate?
The canonical SMILES for [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate is C=CCCN(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](OC(=O)CC(=C)C)C1.
What is the InChIKey of [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate?
The InChIKey is ICIIZZYLOGIIMB-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-8-11-20(18(22)24-19(4,5)6)15-9-10-16(13-15)23-17(21)12-14(2)3/h7,9-10,15-16H,1-2,8,11-13H2,3-6H3/t15-,16+/m0/s1.
What are the key properties of [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate?
[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate has a molecular weight of 335.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate is sourced from PubChem (CID 12000474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).