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

C14H27NO4Sn — CID 24749511

IUPACmethyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate
SMILESCOC(=O)[C@@](C)(/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18NO4.3CH3.Sn/c1-7-11(5,8(13)15-6)12-9(14)16-10(2,3)4;;;;/h1,7H,2-6H3,(H,12,14);3*1H3;/t11-;;;;/m1..../s1
InChIKeyJSVCUPKZVQMUTJ-LOSFGHDGSA-N
MW392.08 g/mol
LogP2.88
Rot. Bonds4

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

methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate (PubChem CID 24749511) has the molecular formula C14H27NO4Sn and a molecular weight of 392.08 g/mol. Its IUPAC name is methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate
PubChem CID24749511
Molecular FormulaC14H27NO4Sn
Molecular Weight392.08 g/mol
Exact Mass393.10
IUPAC Namemethyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate
SMILESCOC(=O)[C@@](C)(/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H18NO4.3CH3.Sn/c1-7-11(5,8(13)15-6)12-9(14)16-10(2,3)4;;;;/h1,7H,2-6H3,(H,12,14);3*1H3;/t11-;;;;/m1..../s1
InChIKeyJSVCUPKZVQMUTJ-LOSFGHDGSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
dimethyl 2-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 142256779
tert-butyl N-(2-methyl-1,3-dioxobutan-2-yl)carbamate
CID 59460326
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpropyl)pent-4-enoate
CID 11044337
methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
CID 101061932
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-4-enoate
CID 57372807
tert-butyl N-(2-methyl-1-oxobut-3-en-2-yl)carbamate
CID 71437506
tert-butyl N-methylcarbamate;ethane
CID 142957488
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-[(Z,3S)-6-isocyano-3-methyl-2-oxohex-4-en-3-yl]carbamate
CID 59898094
(2S)-5-cyano-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-enoic acid
CID 173227029

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate?
The IUPAC name of methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate (CID 24749511) is methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate.
What is the SMILES notation for methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate?
The canonical SMILES for methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate is COC(=O)[C@@](C)(/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate?
The InChIKey is JSVCUPKZVQMUTJ-LOSFGHDGSA-N. The full InChI is InChI=1S/C11H18NO4.3CH3.Sn/c1-7-11(5,8(13)15-6)12-9(14)16-10(2,3)4;;;;/h1,7H,2-6H3,(H,12,14);3*1H3;/t11-;;;;/m1..../s1.
What are the key properties of methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate?
methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate has a molecular weight of 392.08 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trimethylstannylbut-3-enoate is sourced from PubChem (CID 24749511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).