3-methylbutyl 2-(2-methylpropylamino)acetate

C11H23NO2 — CID 63065072

IUPAC3-methylbutyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CCOC(=O)CNCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)5-6-14-11(13)8-12-7-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHXVWXIZADXOOFH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.82
Rot. Bonds7

About 3-methylbutyl 2-(2-methylpropylamino)acetate

3-methylbutyl 2-(2-methylpropylamino)acetate (PubChem CID 63065072) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methylbutyl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Name3-methylbutyl 2-(2-methylpropylamino)acetate
PubChem CID63065072
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methylbutyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CCOC(=O)CNCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)5-6-14-11(13)8-12-7-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHXVWXIZADXOOFH-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
CID 66226218
octyl 2-(2-methylpropylamino)acetate
CID 63065599
methyl 2-(2-methylpropylamino)acetate
CID 22175789
3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
bis(3-methylbutyl) tetradecanedioate
CID 87116358
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419
3-methylbutyl 3-(ethylamino)butanoate
CID 62828197
(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
CID 65127392
butyl 2-(2-methoxypropylamino)acetate
CID 102698141
1-O-hexyl 3-O-(3-methylbutyl) propanedioate
CID 91703569
3-methylbutyl 4-formyloxy-3-methylpentanoate
CID 57250231

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-(2-methylpropylamino)acetate?
The IUPAC name of 3-methylbutyl 2-(2-methylpropylamino)acetate (CID 63065072) is 3-methylbutyl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for 3-methylbutyl 2-(2-methylpropylamino)acetate?
The canonical SMILES for 3-methylbutyl 2-(2-methylpropylamino)acetate is CC(C)CCOC(=O)CNCC(C)C.
What is the InChIKey of 3-methylbutyl 2-(2-methylpropylamino)acetate?
The InChIKey is HXVWXIZADXOOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)5-6-14-11(13)8-12-7-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methylbutyl 2-(2-methylpropylamino)acetate?
3-methylbutyl 2-(2-methylpropylamino)acetate has a molecular weight of 201.31 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 63065072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).