methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate

C16H31NO4Sn — CID 134904705

IUPACmethyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate
SMILESCOC(=O)C[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22NO4.3CH3.Sn/c1-7-10(9(2)8-11(15)17-6)14-12(16)18-13(3,4)5;;;;/h1,7,9-10H,8H2,2-6H3,(H,14,16);3*1H3;/t9-,10+;;;;/m1..../s1
InChIKeyUJRNIDHVMZBKBE-OOFBUDRMSA-N
MW420.14 g/mol
LogP3.51
Rot. Bonds6

About methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate

methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate (PubChem CID 134904705) has the molecular formula C16H31NO4Sn and a molecular weight of 420.14 g/mol. Its IUPAC name is methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate.

Molecular Properties

Compound Namemethyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate
PubChem CID134904705
Molecular FormulaC16H31NO4Sn
Molecular Weight420.14 g/mol
Exact Mass421.13
IUPAC Namemethyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate
SMILESCOC(=O)C[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H22NO4.3CH3.Sn/c1-7-10(9(2)8-11(15)17-6)14-12(16)18-13(3,4)5;;;;/h1,7,9-10H,8H2,2-6H3,(H,14,16);3*1H3;/t9-,10+;;;;/m1..../s1
InChIKeyUJRNIDHVMZBKBE-OOFBUDRMSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.14
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate with MolForge

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Related Compounds

methyl (1S,4R)-4-(((tert-butoxy)carbonyl)amino)cyclopent-2-ene-1-carboxylate
CID 9964776
(1R,4S)-methyl 4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylate
CID 10610130
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 10966734
Methyl 4-((tert-butoxycarbonyl)amino)cyclopent-2-enecarboxylate
CID 15451176
(-)-Ethyl cis-4-tert-butoxycarbonylamino-2-cyclopentene-1-carboxylate
CID 57006421
5-Hexenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CID 14506251
methyl (3S)-3-[(1S)-2-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enoate
CID 24178547
methyl (2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-prop-2-enylhept-6-enoate
CID 101733986
methyl (E,3R,4R)-6-iodo-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 134888470
(1S,4S)-4-(tert-Butyloxycarbonylamino)-2-cyclopentene-1-carboxylic acid methyl ester
CID 9859604
Methyl 4-[(tert-butoxycarbonyl)amino]-5,6-heptadienoate
CID 13264538
ethyl (1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 20586311

Frequently Asked Questions

What is the IUPAC name of methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate?
The IUPAC name of methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate (CID 134904705) is methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate.
What is the SMILES notation for methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate?
The canonical SMILES for methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate is COC(=O)C[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate?
The InChIKey is UJRNIDHVMZBKBE-OOFBUDRMSA-N. The full InChI is InChI=1S/C13H22NO4.3CH3.Sn/c1-7-10(9(2)8-11(15)17-6)14-12(16)18-13(3,4)5;;;;/h1,7,9-10H,8H2,2-6H3,(H,14,16);3*1H3;/t9-,10+;;;;/m1..../s1.
What are the key properties of methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate?
methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate has a molecular weight of 420.14 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate is sourced from PubChem (CID 134904705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).