3-methylbutyl 3-(ethylamino)butanoate

C11H23NO2 — CID 62828197

IUPAC3-methylbutyl 3-(ethylamino)butanoate
SMILESCCNC(C)CC(=O)OCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-12-10(4)8-11(13)14-7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyMEUPYQUQGMBVLY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds7

About 3-methylbutyl 3-(ethylamino)butanoate

3-methylbutyl 3-(ethylamino)butanoate (PubChem CID 62828197) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methylbutyl 3-(ethylamino)butanoate.

Molecular Properties

Compound Name3-methylbutyl 3-(ethylamino)butanoate
PubChem CID62828197
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methylbutyl 3-(ethylamino)butanoate
SMILESCCNC(C)CC(=O)OCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-12-10(4)8-11(13)14-7-6-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyMEUPYQUQGMBVLY-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-(butan-2-ylamino)acetate
CID 61278693
2-(ethylamino)-7-methyloctan-4-one
CID 116566607
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
3-(ethylamino)butanamide
CID 18792210
1-O-hexyl 3-O-(3-methylbutyl) propanedioate
CID 91703569
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
bis(3-methylbutyl) tetradecanedioate
CID 87116358
benzyl (3R)-3-(ethylamino)butanoate
CID 59005233
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
2-(ethylamino)propyl propanoate
CID 153018782
3-methylbutyl 2-propan-2-yloxyacetate
CID 59502419

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 3-(ethylamino)butanoate?
The IUPAC name of 3-methylbutyl 3-(ethylamino)butanoate (CID 62828197) is 3-methylbutyl 3-(ethylamino)butanoate.
What is the SMILES notation for 3-methylbutyl 3-(ethylamino)butanoate?
The canonical SMILES for 3-methylbutyl 3-(ethylamino)butanoate is CCNC(C)CC(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl 3-(ethylamino)butanoate?
The InChIKey is MEUPYQUQGMBVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-12-10(4)8-11(13)14-7-6-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-methylbutyl 3-(ethylamino)butanoate?
3-methylbutyl 3-(ethylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 3-(ethylamino)butanoate is sourced from PubChem (CID 62828197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).