tert-butyl 2-methyl-5-(methylamino)pentanoate

C11H23NO2 — CID 174255913

IUPACtert-butyl 2-methyl-5-(methylamino)pentanoate
SMILESCNCCCC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(7-6-8-12-5)10(13)14-11(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyVTUOWGKFOFXDFI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl 2-methyl-5-(methylamino)pentanoate

tert-butyl 2-methyl-5-(methylamino)pentanoate (PubChem CID 174255913) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-methyl-5-(methylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-5-(methylamino)pentanoate
PubChem CID174255913
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-methyl-5-(methylamino)pentanoate
SMILESCNCCCC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(7-6-8-12-5)10(13)14-11(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyVTUOWGKFOFXDFI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
tert-butyl 4-hydrazinyl-2-methylbutanoate;hydrochloride
CID 118703211
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
tert-butyl 4-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87440029
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
tert-butyl (E)-2-methylnon-6-enoate
CID 163879727
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-[1-(methylamino)heptan-4-yl]carbamate
CID 145027232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-5-(methylamino)pentanoate?
The IUPAC name of tert-butyl 2-methyl-5-(methylamino)pentanoate (CID 174255913) is tert-butyl 2-methyl-5-(methylamino)pentanoate.
What is the SMILES notation for tert-butyl 2-methyl-5-(methylamino)pentanoate?
The canonical SMILES for tert-butyl 2-methyl-5-(methylamino)pentanoate is CNCCCC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-5-(methylamino)pentanoate?
The InChIKey is VTUOWGKFOFXDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(7-6-8-12-5)10(13)14-11(2,3)4/h9,12H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-5-(methylamino)pentanoate?
tert-butyl 2-methyl-5-(methylamino)pentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-5-(methylamino)pentanoate is sourced from PubChem (CID 174255913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).