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

C15H29NO4Sn — CID 10692695

IUPACmethyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate
SMILESCOC(=O)[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20NO4.3CH3.Sn/c1-7-9(8(2)10(14)16-6)13-11(15)17-12(3,4)5;;;;/h1,7-9H,2-6H3,(H,13,15);3*1H3;/t8-,9-;;;;/m0..../s1
InChIKeyOKZLOPYZKLKBNU-WMIYGZHESA-N
MW406.11 g/mol
LogP3.12
Rot. Bonds5

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

methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate (PubChem CID 10692695) has the molecular formula C15H29NO4Sn and a molecular weight of 406.11 g/mol. Its IUPAC name is methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate
PubChem CID10692695
Molecular FormulaC15H29NO4Sn
Molecular Weight406.11 g/mol
Exact Mass407.11
IUPAC Namemethyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate
SMILESCOC(=O)[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H20NO4.3CH3.Sn/c1-7-9(8(2)10(14)16-6)13-11(15)17-12(3,4)5;;;;/h1,7-9H,2-6H3,(H,13,15);3*1H3;/t8-,9-;;;;/m0..../s1
InChIKeyOKZLOPYZKLKBNU-WMIYGZHESA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.11
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-((((Tert-butoxy)carbonyl)amino)methyl)pent-4-enoic acid
CID 22401194
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 91200148
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoic acid
CID 11506879
ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 23661316
ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 24796101
ethyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 24796102
tert-butyl N-[(3S,4S)-4-methyl-5-oxopent-1-en-3-yl]carbamate
CID 46188806
methyl (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 100957165
ethyl (1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 102408914
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
methyl (E,3R,4R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-trimethylstannylhex-5-enoate
CID 134904705
Methyl 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 10244197

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate?
The IUPAC name of methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate (CID 10692695) is methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate.
What is the SMILES notation for methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate?
The canonical SMILES for methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate is COC(=O)[C@@H](C)[C@H](/C=C/[Sn](C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate?
The InChIKey is OKZLOPYZKLKBNU-WMIYGZHESA-N. The full InChI is InChI=1S/C12H20NO4.3CH3.Sn/c1-7-9(8(2)10(14)16-6)13-11(15)17-12(3,4)5;;;;/h1,7-9H,2-6H3,(H,13,15);3*1H3;/t8-,9-;;;;/m0..../s1.
What are the key properties of methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate?
methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate has a molecular weight of 406.11 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylstannylpent-4-enoate is sourced from PubChem (CID 10692695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).