methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate

C31H45NO3Si — CID 11103186

IUPACmethyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate
SMILESCOC(=O)/C=C\CCC[C@@]1(N)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H45NO3Si/c1-25(28-20-15-23-31(28,32)22-14-8-13-21-29(33)34-5)24-35-36(30(2,3)4,26-16-9-6-10-17-26)27-18-11-7-12-19-27/h6-7,9-13,16-19,21,25,28H,8,14-15,20,22-24,32H2,1-5H3/b21-13-/t25-,28+,31+/m0/s1
InChIKeyAXSBYWUOGZIDLA-ZDFXEFIASA-N
MW507.79 g/mol
LogP5.60
Rot. Bonds11

About methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate

methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate (PubChem CID 11103186) has the molecular formula C31H45NO3Si and a molecular weight of 507.79 g/mol. Its IUPAC name is methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate
PubChem CID11103186
Molecular FormulaC31H45NO3Si
Molecular Weight507.79 g/mol
Exact Mass507.32
IUPAC Namemethyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate
SMILESCOC(=O)/C=C\CCC[C@@]1(N)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H45NO3Si/c1-25(28-20-15-23-31(28,32)22-14-8-13-21-29(33)34-5)24-35-36(30(2,3)4,26-16-9-6-10-17-26)27-18-11-7-12-19-27/h6-7,9-13,16-19,21,25,28H,8,14-15,20,22-24,32H2,1-5H3/b21-13-/t25-,28+,31+/m0/s1
InChIKeyAXSBYWUOGZIDLA-ZDFXEFIASA-N
XLogP5.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.79
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2Z)-2-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-ylidene]acetate
CID 44305510
ethyl 2-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-ylidene]acetate
CID 172035483
methyl (E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 11569467
methyl (E)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 68580297
methyl 4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 68580298
methyl 4-[(1S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 68787167
Methyl 4-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 73010333
methyl (4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enoate
CID 90924714
ethyl (Z)-3-[2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopentyl]prop-2-enoate
CID 140750435
methyl (Z)-6-[(1S,2R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]hex-2-enoate
CID 11072118
ethyl (E)-4-[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoate
CID 11249964
ethyl (2E,4E)-8-[(1R,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]-2-methylocta-2,4-dienoate
CID 11295968

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate?
The IUPAC name of methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate (CID 11103186) is methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate.
What is the SMILES notation for methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate?
The canonical SMILES for methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate is COC(=O)/C=C\CCC[C@@]1(N)CCC[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate?
The InChIKey is AXSBYWUOGZIDLA-ZDFXEFIASA-N. The full InChI is InChI=1S/C31H45NO3Si/c1-25(28-20-15-23-31(28,32)22-14-8-13-21-29(33)34-5)24-35-36(30(2,3)4,26-16-9-6-10-17-26)27-18-11-7-12-19-27/h6-7,9-13,16-19,21,25,28H,8,14-15,20,22-24,32H2,1-5H3/b21-13-/t25-,28+,31+/m0/s1.
What are the key properties of methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate?
methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate has a molecular weight of 507.79 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-[(1S,2R)-1-amino-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]cyclopentyl]hex-2-enoate is sourced from PubChem (CID 11103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).