2-(ethylamino)-4-pentan-2-yloxybutanoic acid

C11H23NO3 — CID 102984247

IUPAC2-(ethylamino)-4-pentan-2-yloxybutanoic acid
SMILESCCCC(C)OCCC(NCC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-9(3)15-8-7-10(11(13)14)12-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyVGPTWXHJSHSFAR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.64
Rot. Bonds9

About 2-(ethylamino)-4-pentan-2-yloxybutanoic acid

2-(ethylamino)-4-pentan-2-yloxybutanoic acid (PubChem CID 102984247) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-pentan-2-yloxybutanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-pentan-2-yloxybutanoic acid
PubChem CID102984247
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(ethylamino)-4-pentan-2-yloxybutanoic acid
SMILESCCCC(C)OCCC(NCC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-9(3)15-8-7-10(11(13)14)12-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyVGPTWXHJSHSFAR-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
N-ethyl-4-pentan-2-yloxybutan-2-amine
CID 102981250
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
CID 167006530
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
CID 123367492
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-pentan-2-yloxybutanoic acid?
The IUPAC name of 2-(ethylamino)-4-pentan-2-yloxybutanoic acid (CID 102984247) is 2-(ethylamino)-4-pentan-2-yloxybutanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-pentan-2-yloxybutanoic acid?
The canonical SMILES for 2-(ethylamino)-4-pentan-2-yloxybutanoic acid is CCCC(C)OCCC(NCC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-pentan-2-yloxybutanoic acid?
The InChIKey is VGPTWXHJSHSFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-9(3)15-8-7-10(11(13)14)12-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(ethylamino)-4-pentan-2-yloxybutanoic acid?
2-(ethylamino)-4-pentan-2-yloxybutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-pentan-2-yloxybutanoic acid is sourced from PubChem (CID 102984247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).