tert-butyl 2-(3-methylbutylamino)acetate

C11H23NO2 — CID 15481673

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

About tert-butyl 2-(3-methylbutylamino)acetate

tert-butyl 2-(3-methylbutylamino)acetate (PubChem CID 15481673) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-(3-methylbutylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-methylbutylamino)acetate
PubChem CID15481673
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-(3-methylbutylamino)acetate
SMILESCC(C)CCNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h9,12H,6-8H2,1-5H3
InChIKeyWQBUBGBUQLEKOS-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-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 2-[(4-amino-4-oxobutyl)amino]acetate
CID 60864302
tert-butyl 2-(octylamino)acetate
CID 78913453
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 170984798
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 3-(7-methyloctylamino)propanoate
CID 114004290
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate
CID 63826969
tert-butyl 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]acetate
CID 178134904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methylbutylamino)acetate?
The IUPAC name of tert-butyl 2-(3-methylbutylamino)acetate (CID 15481673) is tert-butyl 2-(3-methylbutylamino)acetate.
What is the SMILES notation for tert-butyl 2-(3-methylbutylamino)acetate?
The canonical SMILES for tert-butyl 2-(3-methylbutylamino)acetate is CC(C)CCNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-methylbutylamino)acetate?
The InChIKey is WQBUBGBUQLEKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)6-7-12-8-10(13)14-11(3,4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(3-methylbutylamino)acetate?
tert-butyl 2-(3-methylbutylamino)acetate 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-(3-methylbutylamino)acetate is sourced from PubChem (CID 15481673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).