2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate

C16H33NO3 — CID 167070130

IUPAC2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
SMILESCCC(C)(C)OC(=O)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C16H33NO3/c1-8-15(4,5)20-13(18)9-10-16(6,7)19-12-11-14(2,3)17/h8-12,17H2,1-7H3
InChIKeyWNIXBOAUROVJHD-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.42
Rot. Bonds9

About 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate

2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate (PubChem CID 167070130) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
PubChem CID167070130
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
SMILESCCC(C)(C)OC(=O)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C16H33NO3/c1-8-15(4,5)20-13(18)9-10-16(6,7)19-12-11-14(2,3)17/h8-12,17H2,1-7H3
InChIKeyWNIXBOAUROVJHD-UHFFFAOYSA-N
XLogP3.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutan-2-yl 7-amino-7-methyloctanoate
CID 163421014
6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
CID 88904975
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
CID 156884875
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
2-methylbutan-2-yl 4-(2-methylbutan-2-ylperoxy)-4-oxobutanoate
CID 139936835
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
CID 123859244
4-[5-(2-methylbutan-2-yloxy)-5-oxopentoxy]-4-oxobutanoic acid
CID 59270037
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate?
The IUPAC name of 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate (CID 167070130) is 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate?
The canonical SMILES for 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate is CCC(C)(C)OC(=O)CCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate?
The InChIKey is WNIXBOAUROVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-8-15(4,5)20-13(18)9-10-16(6,7)19-12-11-14(2,3)17/h8-12,17H2,1-7H3.
What are the key properties of 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate?
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate has a molecular weight of 287.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate is sourced from PubChem (CID 167070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).