methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate

C15H29NO4 — CID 164848946

IUPACmethyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
SMILESCOC(=O)CCC[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-11(2)10-12(8-7-9-13(17)19-6)16-14(18)20-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,18)/t12-/m1/s1
InChIKeyDBQFSEKDGQHEMC-GFCCVEGCSA-N
MW287.40 g/mol
LogP3.27
Rot. Bonds7

About methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate

methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate (PubChem CID 164848946) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate.

Molecular Properties

Compound Namemethyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
PubChem CID164848946
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
SMILESCOC(=O)CCC[C@H](CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-11(2)10-12(8-7-9-13(17)19-6)16-14(18)20-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,18)/t12-/m1/s1
InChIKeyDBQFSEKDGQHEMC-GFCCVEGCSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate with MolForge

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Related Compounds

tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-bromobutanoate
CID 86641000
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[6-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]disulfanyl]hexanoate
CID 11764688
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
methyl 7-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 23566999
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
methyl 12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]dodecanoate
CID 11025778
methyl (3R)-9-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
CID 135013903
methyl (4R)-6,6,6-trifluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 169119163
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
methyl (3S,4S)-3-acetamido-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 101382331

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate?
The IUPAC name of methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate (CID 164848946) is methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate.
What is the SMILES notation for methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate?
The canonical SMILES for methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate is COC(=O)CCC[C@H](CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate?
The InChIKey is DBQFSEKDGQHEMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29NO4/c1-11(2)10-12(8-7-9-13(17)19-6)16-14(18)20-15(3,4)5/h11-12H,7-10H2,1-6H3,(H,16,18)/t12-/m1/s1.
What are the key properties of methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate?
methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate has a molecular weight of 287.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate is sourced from PubChem (CID 164848946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).